6-Acetylthiohexanoic acid
TL;DR: 6-Acetylthiohexanoic acid (CAS 80441-57-2) is a chemical compound with molecular formula C8H14O3S and molecular weight 190.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-acetylsulfanylhexanoic acid
Also Known As: 6-Acetylthiohexanoic acid, 6-acetylsulfanylhexanoic Acid, Hexanoic acid, 6-(acetylthio)-, 6-(acetylthio)hexanoic acid, 6-Acetylthiohexanoic acid, 97%
| Molecular Formula | C8H14O3S |
|---|---|
| Molecular Weight | 190.07 g/mol |
| LogP | 1.9111 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 190.06636 |
| Heavy Atoms | 12 |
| Complexity | 138.38196 |
Chemical Identifiers
| CAS Number | 80441-57-2 |
|---|---|
| SMILES | CC(=O)SCCCCCC(=O)O |
Product Overview
6-Acetylthiohexanoic acid (CAS 80441-57-2), with molecular formula C8H14O3S and molecular weight 190.07 g/mol. IUPAC: 6-acetylsulfanylhexanoic acid.
Chemical Property Profile of 6-Acetylthiohexanoic acid
Property Insights of 6-Acetylthiohexanoic acid
The XLogP value of 1.9111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Acetylthiohexanoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 6-Acetylthiohexanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Acetylthiohexanoic acid has 1 hydrogen bond donor(s) and 3 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-Acetylthiohexanoic acid?
The CAS number of 6-Acetylthiohexanoic acid is 80441-57-2.
What is the molecular formula of 6-Acetylthiohexanoic acid?
The molecular formula of 6-Acetylthiohexanoic acid is C8H14O3S.
What is the molecular weight of 6-Acetylthiohexanoic acid?
The molecular weight of 6-Acetylthiohexanoic acid is 190.07 g/mol.
Where can I buy 6-Acetylthiohexanoic acid?
You can request a quote for 6-Acetylthiohexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Acetylthiohexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Acetylthiohexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.