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Home > Products > Specialty & Industrial Chemicals > Specialty Chemicals > Octanoic acid, 6,8-bis[(phenylMethyl)thio]-
Octanoic acid, 6,8-bis[(phenylMethyl)thio]- structure, CAS 95809-78-2

Octanoic acid, 6,8-bis[(phenylMethyl)thio]-

CAS Number95809-78-2

Synonyms6,8-bis-benzylsulfanyl-octanoic acid; 6,8-Bis(benzylsulfanyl)octanoic acid; 6,8-Bis-benzylmercapto-octansaeure; 6,8-bis-benzylthio-octanoic acid; cc-429; QCR-193; (±)6,8-bis-thiobenzyl octanoic acid; CPI 613; UNII:E76113IR49; CPI-613; 6,8-Bis(benzylthio)octanoic acid

Molecular FormulaC22H28O2S2

Molecular Weight388.586

Purity98%%

Density1.1±0.1 g/cm3

Boiling Point553.0±50.0 °C at 760 mmHg

Melting Point63-65℃

Flash Point

Appearancewhite to beige

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Cat. No.: 2A-1170932 Purity: 98%%
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Quality Control of [ 95809-78-2 ] Purity: 98%% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number95809-78-2
Catalog No.2A-1170932
Chinese Name6,8-双(苄基硫代)辛酸
Synonyms6,8-bis-benzylsulfanyl-octanoic acid; 6,8-Bis(benzylsulfanyl)octanoic acid; 6,8-Bis-benzylmercapto-octansaeure; 6,8-bis-benzylthio-octanoic acid; cc-429; QCR-193; (±)6,8-bis-thiobenzyl octanoic acid; CPI 613; UNII:E76113IR49; CPI-613; 6,8-Bis(benzylthio)octanoic acid
Molecular FormulaC22H28O2S2
Molecular Weight388.586
Purity98%
Density1.1±0.1 g/cm3
Boiling Point553.0±50.0 °C at 760 mmHg
Melting Point63-65℃
Appearancewhite to beige
Water SolubilityDMSO: soluble15mg/mL (clear solution)
Storage Condition2-8°C
ApplicationCPI-613 is a lipoic acid analog that inhibits pyruvate dehydrogenase (PDH) and alpha-ketoglutarate dehydrogenase, disrupts mitochondrial metabolism and displays potent anti-tumor activity.
PubChem ID49691904
SMILESO=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1
InChIInChI=1S/C22H28O2S2/c23-22(24)14-8-7-13-21(26-18-20-11-5-2-6-12-20)15-16-25-17-19-9-3-1-4-10-19/h1-6,9-12,21H,7-8,13-18H2,(H,23,24)
InChI KeyZYRLHJIMTROTBO-UHFFFAOYSA-N
Transport InfoProduct name: 6,8-bis(benzylthio)octanoic acid
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