Hexadecyl 2-mercaptoacetate
TL;DR: Hexadecyl 2-mercaptoacetate (CAS 22811-02-5) is a chemical compound with molecular formula C18H36O2S and molecular weight 316.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl 2-sulfanylacetate
Also Known As: Hexadecyl mercaptoacetate, cetyl thioglycolate, hexadecyl 2-sulfanylacetate, hexadecylmercaptoacetate, Hexadecyl sulfanylacetate
| Molecular Formula | C18H36O2S |
|---|---|
| Molecular Weight | 316.24 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 316.2436 |
| Heavy Atoms | 21 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 22811-02-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)CS |
| InChIKey | WDRMFQRBFDVBPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexadecyl 2-mercaptoacetate (CAS 22811-02-5), with molecular formula C18H36O2S and molecular weight 316.24 g/mol. IUPAC: hexadecyl 2-sulfanylacetate.
Chemical Property Profile of Hexadecyl 2-mercaptoacetate
Property Insights of Hexadecyl 2-mercaptoacetate
The XLogP value of 8.1 indicates that Hexadecyl 2-mercaptoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.3 Ų, Hexadecyl 2-mercaptoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadecyl 2-mercaptoacetate 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 Hexadecyl 2-mercaptoacetate?
The CAS number of Hexadecyl 2-mercaptoacetate is 22811-02-5.
What is the molecular formula of Hexadecyl 2-mercaptoacetate?
The molecular formula of Hexadecyl 2-mercaptoacetate is C18H36O2S.
What is the molecular weight of Hexadecyl 2-mercaptoacetate?
The molecular weight of Hexadecyl 2-mercaptoacetate is 316.24 g/mol.
Where can I buy Hexadecyl 2-mercaptoacetate?
You can request a quote for Hexadecyl 2-mercaptoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecyl 2-mercaptoacetate?
Yes, KEHONG BIO provides custom synthesis services for Hexadecyl 2-mercaptoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.