345755 <common-name>7-[[4-[[4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-methoxy-3-sulfophenyl]diazenyl]-2-hydroxyphenyl]diazenyl]-8-hydroxynaphthalene-1,3,6-trisulfonic acid</common-name> <description>7-[[4-[[4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-methoxy-3-sulfophenyl]diazenyl]-2-hydroxyphenyl]diazenyl]-8-hydroxynaphthalene-1,3,6-trisulfonic acid is a chemical compound with the formula C27H18ClF2N7O15S4. With an average molecular weight of 882.20 g/mol, 7-[[4-[[4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-methoxy-3-sulfophenyl]diazenyl]-2-hydroxyphenyl]diazenyl]-8-hydroxynaphthalene-1,3,6-trisulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>176358</pubchem-id> <chemical-formula>C27H18ClF2N7O15S4</chemical-formula> <weight>882.2</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">2026-08-31T08:44:04Z</created-at> <updated-at type="dateTime">2026-08-31T08:44:04Z</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>COC1=C(C=CC(=C1S(=O)(=O)O)NC2=C(C(=NC(=N2)F)F)Cl)N=NC3=CC(=C(C=C3)N=NC4=C(C5=C(C=C(C=C5C=C4S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)O</moldb-smiles> <moldb-formula>C27H18ClF2N7O15S4</moldb-formula> <moldb-inchi>InChI=1S/C27H18ClF2N7O15S4/c1-52-23-14(4-5-15(24(23)56(49,50)51)31-26-20(28)25(29)32-27(30)33-26)36-34-11-2-3-13(16(38)8-11)35-37-21-18(55(46,47)48)7-10-6-12(53(40,41)42)9-17(54(43,44)45)19(10)22(21)39/h2-9,38-39H,1H3,(H,31,32,33)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)</moldb-inchi> <moldb-inchikey>WYXNSZLGZFGNMW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">880.9400316</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.2</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>CHEM341648</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>7-[[4-[[4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-methoxy-3-sulfophenyl]diazenyl]-2-hydroxyphenyl]diazenyl]-8-hydroxynaphthalene-1,3,6-trisulfonic 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>Benzenoids</superklass> <klass>Naphthalenes</klass> <subklass>Naphthalene sulfonic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0296110</sync-id> <structure-inchikey>WYXNSZLGZFGNMW-UHFFFAOYSA-N</structure-inchikey> 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