325513 <common-name>7-[[4-amino-2-[(5-chloro-2-fluoro-6-methylpyrimidin-4-yl)amino]-5-sulfophenyl]diazenyl]naphthalene-1,3,5-trisulfonic acid</common-name> <description>7-[[4-amino-2-[(5-chloro-2-fluoro-6-methylpyrimidin-4-yl)amino]-5-sulfophenyl]diazenyl]naphthalene-1,3,5-trisulfonic acid is a chemical compound with the formula C21H16ClFN6O12S4. With an average molecular weight of 727.10 g/mol, 7-[[4-amino-2-[(5-chloro-2-fluoro-6-methylpyrimidin-4-yl)amino]-5-sulfophenyl]diazenyl]naphthalene-1,3,5-trisulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>173349</pubchem-id> <chemical-formula>C21H16ClFN6O12S4</chemical-formula> <weight>727.1</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">2026-08-30T03:18:40Z</created-at> <updated-at type="dateTime">2026-08-30T03:18:40Z</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>CC1=C(C(=NC(=N1)F)NC2=C(C=C(C(=C2)N)S(=O)(=O)O)N=NC3=CC4=C(C=C(C=C4S(=O)(=O)O)S(=O)(=O)O)C(=C3)S(=O)(=O)O)Cl</moldb-smiles> <moldb-formula>C21H16ClFN6O12S4</moldb-formula> <moldb-inchi>InChI=1S/C21H16ClFN6O12S4/c1-8-19(22)20(27-21(23)25-8)26-14-6-13(24)18(45(39,40)41)7-15(14)29-28-9-2-11-12(16(3-9)43(33,34)35)4-10(42(30,31)32)5-17(11)44(36,37)38/h2-7H,24H2,1H3,(H,25,26,27)(H,30,31,32)(H,33,34,35)(H,36,37,38)(H,39,40,41)</moldb-inchi> <moldb-inchikey>FFBJLVGMAYBWBG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">725.9381605</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.4</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>CHEM321406</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-amino-2-[(5-chloro-2-fluoro-6-methylpyrimidin-4-yl)amino]-5-sulfophenyl]diazenyl]naphthalene-1,3,5-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>CED0276150</sync-id> <structure-inchikey>FFBJLVGMAYBWBG-UHFFFAOYSA-N</structure-inchikey> 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