2-Mercaptoethyl decanoate
TL;DR: 2-Mercaptoethyl decanoate (CAS 68928-33-6) 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.
2-sulfanylethyl decanoate
Also Known As: 2-Mercaptoethyl decanoate, 2-sulfanylethyl decanoate, mercaptoethyl caprate, 2-mercaptoethyldecanoate, Decanoic acid, 2-mercaptoethyl ester
| Molecular Formula | C12H24O2S |
|---|---|
| Molecular Weight | 232.15 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 232.1497 |
| Heavy Atoms | 15 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 68928-33-6 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OCCS |
| InChIKey | ZXNNPJMEFLZCMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Mercaptoethyl decanoate (CAS 68928-33-6), with molecular formula C12H24O2S and molecular weight 232.15 g/mol. IUPAC: 2-sulfanylethyl decanoate.
Chemical Property Profile of 2-Mercaptoethyl decanoate
Property Insights of 2-Mercaptoethyl decanoate
The XLogP value of 4.5 indicates that 2-Mercaptoethyl decanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.3 Ų, 2-Mercaptoethyl decanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Mercaptoethyl decanoate 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 2-Mercaptoethyl decanoate?
The CAS number of 2-Mercaptoethyl decanoate is 68928-33-6.
What is the molecular formula of 2-Mercaptoethyl decanoate?
The molecular formula of 2-Mercaptoethyl decanoate is C12H24O2S.
What is the molecular weight of 2-Mercaptoethyl decanoate?
The molecular weight of 2-Mercaptoethyl decanoate is 232.15 g/mol.
Where can I buy 2-Mercaptoethyl decanoate?
You can request a quote for 2-Mercaptoethyl decanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercaptoethyl decanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercaptoethyl decanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.