348521 <common-name>2,5-dichloro-4-[4-[(4-dodecylphenyl)diazenyl]-3-methyl-5-oxo-4h-pyrazol-1-yl]benzenesulfonic acid</common-name> <description>2,5-dichloro-4-[4-[(4-dodecylphenyl)diazenyl]-3-methyl-5-oxo-4h-pyrazol-1-yl]benzenesulfonic acid is a chemical compound with the formula C28H36Cl2N4O4S. With an average molecular weight of 595.60 g/mol, 2,5-dichloro-4-[4-[(4-dodecylphenyl)diazenyl]-3-methyl-5-oxo-4h-pyrazol-1-yl]benzenesulfonic acid is a heavy molecule.</description> <cas>72330-33-7</cas> <pubchem-id>94553</pubchem-id> <chemical-formula>C28H36Cl2N4O4S</chemical-formula> <weight>595.6</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-31T12:34:29Z</created-at> <updated-at type="dateTime">2026-08-31T12:34:29Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCCCCCCCCCCCC1=CC=C(C=C1)N=NC2C(=NN(C2=O)C3=CC(=C(C=C3Cl)S(=O)(=O)O)Cl)C</moldb-smiles> <moldb-formula>C28H36Cl2N4O4S</moldb-formula> <moldb-inchi>InChI=1S/C28H36Cl2N4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-21-14-16-22(17-15-21)31-32-27-20(2)33-34(28(27)35)25-18-24(30)26(19-23(25)29)39(36,37)38/h14-19,27H,3-13H2,1-2H3,(H,36,37,38)</moldb-inchi> <moldb-inchikey>SIWFBKUKQZOOAO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">594.1834322</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>9.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM344414</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2,5-dichloro-4-[4-[(4-dodecylphenyl)diazenyl]-3-methyl-5-oxo-4h-pyrazol-1-yl]benzenesulfonic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0298853</sync-id> <structure-inchikey>SIWFBKUKQZOOAO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000000800000000000000000000000000100a00000000000000000000002000220000008020002002000800000000000000800000000000004000000000800400000018000000020000020000000000000000004000000000000000020010000000800000000100000000000001100100000002000000000100001040040000000000000000000010000000000800010000000001000000000000100000000000000000008080000800000000008000000090000000000000000000000100100800000000000000000000010000000002000000220000000000000000000000002000040000000010000000040400000000000001000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������'���)���€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`������@(������@h�������@h�������@(������@h�������@h��������(�������(�������`�������(�������(�������(�������(�������(������@(������@h�������@(������@(������@h�������@(������� ������ ������(�������(�������`������� ������`������������������������������� � � ������ h� �h���h���h���h��� ��(���������(��� �� ��(��� ��h���h���h���h���h�� ��!�!"��!#��!$��%��&���h������h�B���������� �����������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:46:51Z</structure-indexed-at> </compound>