3-Mercaptohexyl hexanoate
TL;DR: 3-Mercaptohexyl hexanoate (CAS 13730-55-7) is a chemical compound with molecular formula C12H24O2S and molecular weight 232.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfanylhexyl hexanoate
Also Known As: 3-Mercaptohexyl hexanoate, 3-Sulfanylhexyl hexanoate, 3-Thiohexyl caproate, 3-Mercaptohexyl caproate, FEMA no. 3853
| Molecular Formula | C12H24O2S |
|---|---|
| Molecular Weight | 232.15 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 232.1497 |
| Heavy Atoms | 15 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 13730-55-7 |
|---|---|
| SMILES | CCCCCC(=O)OCCC(CCC)S |
| InChIKey | KVXKOWZLYWBURN-UHFFFAOYSA-N |
Product Overview
3-Mercaptohexyl hexanoate (CAS 13730-55-7), with molecular formula C12H24O2S and molecular weight 232.15 g/mol. IUPAC: 3-sulfanylhexyl hexanoate.
Chemical Property Profile of 3-Mercaptohexyl hexanoate
Property Insights of 3-Mercaptohexyl hexanoate
The XLogP value of 4.0 indicates that 3-Mercaptohexyl hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.3 Ų, 3-Mercaptohexyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Mercaptohexyl hexanoate 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-Mercaptohexyl hexanoate?
The CAS number of 3-Mercaptohexyl hexanoate is 13730-55-7.
What is the molecular formula of 3-Mercaptohexyl hexanoate?
The molecular formula of 3-Mercaptohexyl hexanoate is C12H24O2S.
What is the molecular weight of 3-Mercaptohexyl hexanoate?
The molecular weight of 3-Mercaptohexyl hexanoate is 232.15 g/mol.
Where can I buy 3-Mercaptohexyl hexanoate?
You can request a quote for 3-Mercaptohexyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Mercaptohexyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Mercaptohexyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.