Mercaptoethyl caproate
TL;DR: Mercaptoethyl caproate (CAS 22909-86-0) is a chemical compound with molecular formula C8H16O2S and molecular weight 176.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylethyl hexanoate
Also Known As: Mercaptoethyl caproate, Thioethyl caproate, 2-sulfanylethyl hexanoate, 2-Mercaptoethyl caproate, 2-Mercaptoethyl hexanoate
| Molecular Formula | C8H16O2S |
|---|---|
| Molecular Weight | 176.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 176.0871 |
| Heavy Atoms | 11 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 22909-86-0 |
|---|---|
| SMILES | CCCCCC(=O)OCCS |
| InChIKey | LSZCIZOHKPPEJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mercaptoethyl caproate (CAS 22909-86-0), with molecular formula C8H16O2S and molecular weight 176.09 g/mol. IUPAC: 2-sulfanylethyl hexanoate.
Chemical Property Profile of Mercaptoethyl caproate
Property Insights of Mercaptoethyl caproate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mercaptoethyl caproate. With a topological polar surface area (TPSA) of 27.3 Ų, Mercaptoethyl caproate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mercaptoethyl caproate 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 Mercaptoethyl caproate?
The CAS number of Mercaptoethyl caproate is 22909-86-0.
What is the molecular formula of Mercaptoethyl caproate?
The molecular formula of Mercaptoethyl caproate is C8H16O2S.
What is the molecular weight of Mercaptoethyl caproate?
The molecular weight of Mercaptoethyl caproate is 176.09 g/mol.
Where can I buy Mercaptoethyl caproate?
You can request a quote for Mercaptoethyl caproate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mercaptoethyl caproate?
Yes, KEHONG BIO provides custom synthesis services for Mercaptoethyl caproate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.