Dodecanoic acid, 2-mercaptoethyl ester
TL;DR: Dodecanoic acid, 2-mercaptoethyl ester (CAS 60642-66-2) is a chemical compound with molecular formula C14H28O2S and molecular weight 260.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylethyl dodecanoate
Also Known As: 2-Mercaptoethyl laurate, 2-sulfanylethyl dodecanoate, 2-Mercaptoethyl dodecanoate, 2-sulfanylethyl laurate, Dodecanoic acid, 2-mercaptoethyl ester
| Molecular Formula | C14H28O2S |
|---|---|
| Molecular Weight | 260.18 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 260.181 |
| Heavy Atoms | 17 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 60642-66-2 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)OCCS |
| InChIKey | DRMQGFINKBLFMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dodecanoic acid, 2-mercaptoethyl ester (CAS 60642-66-2), with molecular formula C14H28O2S and molecular weight 260.18 g/mol. IUPAC: 2-sulfanylethyl dodecanoate.
Chemical Property Profile of Dodecanoic acid, 2-mercaptoethyl ester
Property Insights of Dodecanoic acid, 2-mercaptoethyl ester
The XLogP value of 5.6 indicates that Dodecanoic acid, 2-mercaptoethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.3 Ų, Dodecanoic acid, 2-mercaptoethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dodecanoic acid, 2-mercaptoethyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dodecanoic acid, 2-mercaptoethyl ester?
The CAS number of Dodecanoic acid, 2-mercaptoethyl ester is 60642-66-2.
What is the molecular formula of Dodecanoic acid, 2-mercaptoethyl ester?
The molecular formula of Dodecanoic acid, 2-mercaptoethyl ester is C14H28O2S.
What is the molecular weight of Dodecanoic acid, 2-mercaptoethyl ester?
The molecular weight of Dodecanoic acid, 2-mercaptoethyl ester is 260.18 g/mol.
Where can I buy Dodecanoic acid, 2-mercaptoethyl ester?
You can request a quote for Dodecanoic acid, 2-mercaptoethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecanoic acid, 2-mercaptoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Dodecanoic acid, 2-mercaptoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.