348627 <common-name>2-[4-[4-(1-carboxyheptoxy)phenyl]sulfanylphenoxy]octanoic acid</common-name> <description>2-[4-[4-(1-carboxyheptoxy)phenyl]sulfanylphenoxy]octanoic acid is a chemical compound with the formula C28H38O6S. With an average molecular weight of 502.70 g/mol, 2-[4-[4-(1-carboxyheptoxy)phenyl]sulfanylphenoxy]octanoic acid is a heavy molecule.</description> <cas>63538-12-5</cas> <pubchem-id>3047427</pubchem-id> <chemical-formula>C28H38O6S</chemical-formula> <weight>502.7</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">2026-08-31T12:43:03Z</created-at> <updated-at type="dateTime">2026-08-31T12:43:03Z</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>CCCCCCC(C(=O)O)OC1=CC=C(C=C1)SC2=CC=C(C=C2)OC(CCCCCC)C(=O)O</moldb-smiles> <moldb-formula>C28H38O6S</moldb-formula> <moldb-inchi>InChI=1S/C28H38O6S/c1-3-5-7-9-11-25(27(29)30)33-21-13-17-23(18-14-21)35-24-19-15-22(16-20-24)34-26(28(31)32)12-10-8-6-4-2/h13-20,25-26H,3-12H2,1-2H3,(H,29,30)(H,31,32)</moldb-inchi> <moldb-inchikey>DVXWCHSAXBLWIP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">502.2389101</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>8.9</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>CHEM344520</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-[4-[4-(1-carboxyheptoxy)phenyl]sulfanylphenoxy]octanoic 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>Benzene and substituted derivatives</klass> <subklass>Phenoxyacetic acid derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0298957</sync-id> <structure-inchikey>DVXWCHSAXBLWIP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000800000000000000000000000000000000000000000002000000200010000000000004000000000000800040000000000000000000000080000000010000000000000020008000000100000200001000000000000020031000000000000000000000000000000020000000800000000000000000000040000000000000000000010000000000000000000000000001000000100000000000000000000000080000000000000008000010000000000000000000000000000000000000000000000000000000000000000000000200000000000020000000000800000040000000010400000000000000000000000000000000</structure-fingerprint> 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BgBgAAAAAgIGAGAAAAACAgYAYAAAAAEDBgAoAAAAAwQIACgAAAADAggAaAAA AAMBAQsAAQABAgACAwADBAAEBQAFBgAGBwAHCCgCBwkgBgoACgsgCwxoDAwN aAwNDmgMDg9oDA8QaAwOEQAREgASE2gMExRoDBQVaAwVFmgMFhdoDBUYIBgZ ABkaABobABscABwdAB0eAB4fABkgACAhKAIgIiAQC2gMFxJoDEICAAAABgsQ Dw4NDAYTFBUWFxIXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:46:56Z</structure-indexed-at> </compound>