2-Mercaptoethyl octanoate
TL;DR: 2-Mercaptoethyl octanoate (CAS 57813-59-9) 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.
2-sulfanylethyl octanoate
Also Known As: 2-Mercaptoethyl octanoate, 2-sulfanylethyl octanoate, mercaptoethyl octanoate, 2-mercaptoethyl caprylate, 2-Mercaptoethyl=octanoate
| Molecular Formula | C10H20O2S |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 204.11841 |
| Heavy Atoms | 13 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 57813-59-9 |
|---|---|
| SMILES | CCCCCCCC(=O)OCCS |
| InChIKey | BHWWTWCFLZECFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Mercaptoethyl octanoate (CAS 57813-59-9), with molecular formula C10H20O2S and molecular weight 204.12 g/mol. IUPAC: 2-sulfanylethyl octanoate.
Chemical Property Profile of 2-Mercaptoethyl octanoate
Property Insights of 2-Mercaptoethyl octanoate
The XLogP value of 3.4 indicates that 2-Mercaptoethyl octanoate 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 octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Mercaptoethyl octanoate 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 octanoate?
The CAS number of 2-Mercaptoethyl octanoate is 57813-59-9.
What is the molecular formula of 2-Mercaptoethyl octanoate?
The molecular formula of 2-Mercaptoethyl octanoate is C10H20O2S.
What is the molecular weight of 2-Mercaptoethyl octanoate?
The molecular weight of 2-Mercaptoethyl octanoate is 204.12 g/mol.
Where can I buy 2-Mercaptoethyl octanoate?
You can request a quote for 2-Mercaptoethyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercaptoethyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercaptoethyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.