6,8-Bis(acetylthio)octanoic acid
TL;DR: 6,8-Bis(acetylthio)octanoic acid (CAS 71288-69-2) is a chemical compound with molecular formula C12H20O4S2 and molecular weight 292.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-bis(acetylsulfanyl)octanoic acid
Also Known As: 6,8-bis(acetylthio)octanoic acid, 6,8-bisacetylmercaptooctanoic acid, 6,8-bis(acetylsulfanyl)octanoic Acid
| Molecular Formula | C12H20O4S2 |
|---|---|
| Molecular Weight | 292.08 g/mol |
| LogP | 2.9495 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 292.0803 |
| Heavy Atoms | 18 |
| Complexity | 291.802 |
Chemical Identifiers
| CAS Number | 71288-69-2 |
|---|---|
| SMILES | CC(=O)SCCC(CCCCC(=O)O)SC(=O)C |
Product Overview
6,8-Bis(acetylthio)octanoic acid (CAS 71288-69-2), with molecular formula C12H20O4S2 and molecular weight 292.08 g/mol. IUPAC: 6,8-bis(acetylsulfanyl)octanoic acid.
Chemical Property Profile of 6,8-Bis(acetylthio)octanoic acid
Property Insights of 6,8-Bis(acetylthio)octanoic acid
The XLogP value of 2.9495 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,8-Bis(acetylthio)octanoic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,8-Bis(acetylthio)octanoic acid. Following Lipinski's Rule of Five, 6,8-Bis(acetylthio)octanoic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6,8-Bis(acetylthio)octanoic acid?
The CAS number of 6,8-Bis(acetylthio)octanoic acid is 71288-69-2.
What is the molecular formula of 6,8-Bis(acetylthio)octanoic acid?
The molecular formula of 6,8-Bis(acetylthio)octanoic acid is C12H20O4S2.
What is the molecular weight of 6,8-Bis(acetylthio)octanoic acid?
The molecular weight of 6,8-Bis(acetylthio)octanoic acid is 292.08 g/mol.
Where can I buy 6,8-Bis(acetylthio)octanoic acid?
You can request a quote for 6,8-Bis(acetylthio)octanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,8-Bis(acetylthio)octanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6,8-Bis(acetylthio)octanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.