3-Acetylsulfanyl-5-methylhexanoic acid
TL;DR: 3-Acetylsulfanyl-5-methylhexanoic acid (CAS 169469-83-4) is a chemical compound with molecular formula C9H16O3S and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetylsulfanyl-5-methylhexanoic acid
Also Known As: 3-(acetylthio)-5-methylhexanoic acid, 3-acetylsulfanyl-5-methyl-hexanoic Acid
| Molecular Formula | C9H16O3S |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 2.1555 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 204.08202 |
| Heavy Atoms | 13 |
| Complexity | 173.29883 |
Chemical Identifiers
| CAS Number | 169469-83-4 |
|---|---|
| SMILES | CC(C)CC(CC(=O)O)SC(=O)C |
Product Overview
3-Acetylsulfanyl-5-methylhexanoic acid (CAS 169469-83-4), with molecular formula C9H16O3S and molecular weight 204.08 g/mol. IUPAC: 3-acetylsulfanyl-5-methylhexanoic acid.
Chemical Property Profile of 3-Acetylsulfanyl-5-methylhexanoic acid
Property Insights of 3-Acetylsulfanyl-5-methylhexanoic acid
The XLogP value of 2.1555 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetylsulfanyl-5-methylhexanoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 3-Acetylsulfanyl-5-methylhexanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetylsulfanyl-5-methylhexanoic 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 3-Acetylsulfanyl-5-methylhexanoic acid?
The CAS number of 3-Acetylsulfanyl-5-methylhexanoic acid is 169469-83-4.
What is the molecular formula of 3-Acetylsulfanyl-5-methylhexanoic acid?
The molecular formula of 3-Acetylsulfanyl-5-methylhexanoic acid is C9H16O3S.
What is the molecular weight of 3-Acetylsulfanyl-5-methylhexanoic acid?
The molecular weight of 3-Acetylsulfanyl-5-methylhexanoic acid is 204.08 g/mol.
Where can I buy 3-Acetylsulfanyl-5-methylhexanoic acid?
You can request a quote for 3-Acetylsulfanyl-5-methylhexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetylsulfanyl-5-methylhexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetylsulfanyl-5-methylhexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.