Hexyl 3-mercaptobutanoate
TL;DR: Hexyl 3-mercaptobutanoate (CAS 796857-79-9) is a chemical compound with molecular formula C10H20O2S and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 3-sulfanylbutanoate
Also Known As: Hexyl 3-sulfanylbutanoate, HEXYL 3-MERCAPTOBUTANOATE, Hexyl 3-mercaptobutyrate, FEMA No. 4136, hexyl 3-sulanylbutanoate
| Molecular Formula | C10H20O2S |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 2.8183 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 204.11841 |
| Heavy Atoms | 13 |
| Complexity | 134.88643 |
Chemical Identifiers
| CAS Number | 796857-79-9 |
|---|---|
| SMILES | CCCCCCOC(=O)CC(C)S |
Product Overview
Hexyl 3-mercaptobutanoate (CAS 796857-79-9), with molecular formula C10H20O2S and molecular weight 204.12 g/mol. IUPAC: hexyl 3-sulfanylbutanoate.
Chemical Property Profile of Hexyl 3-mercaptobutanoate
Property Insights of Hexyl 3-mercaptobutanoate
The XLogP value of 2.8183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexyl 3-mercaptobutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Hexyl 3-mercaptobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 3-mercaptobutanoate 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 Hexyl 3-mercaptobutanoate?
The CAS number of Hexyl 3-mercaptobutanoate is 796857-79-9.
What is the molecular formula of Hexyl 3-mercaptobutanoate?
The molecular formula of Hexyl 3-mercaptobutanoate is C10H20O2S.
What is the molecular weight of Hexyl 3-mercaptobutanoate?
The molecular weight of Hexyl 3-mercaptobutanoate is 204.12 g/mol.
Where can I buy Hexyl 3-mercaptobutanoate?
You can request a quote for Hexyl 3-mercaptobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl 3-mercaptobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl 3-mercaptobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.