Propanoic acid, 3-mercapto-, dodecyl ester
TL;DR: Propanoic acid, 3-mercapto-, dodecyl ester (CAS 6380-71-8) is a chemical compound with molecular formula C15H30O2S and molecular weight 274.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl 3-sulfanylpropanoate
Also Known As: Lauryl 3-mercaptopropionate, Dodecyl 3-mercaptopropionate, Dodecyl 3-sulfanylpropanoate, Lauryl beta-mercaptopropionate, Dodecyl 3-mercaptopropanoate
| Molecular Formula | C15H30O2S |
|---|---|
| Molecular Weight | 274.20 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 274.19666 |
| Heavy Atoms | 18 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 6380-71-8 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)CCS |
| InChIKey | ARNIBHATWCFIIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 3-mercapto-, dodecyl ester (CAS 6380-71-8), with molecular formula C15H30O2S and molecular weight 274.20 g/mol. IUPAC: dodecyl 3-sulfanylpropanoate.
Chemical Property Profile of Propanoic acid, 3-mercapto-, dodecyl ester
Property Insights of Propanoic acid, 3-mercapto-, dodecyl ester
The XLogP value of 5.8 indicates that Propanoic acid, 3-mercapto-, dodecyl 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, Propanoic acid, 3-mercapto-, dodecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 3-mercapto-, dodecyl 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 Propanoic acid, 3-mercapto-, dodecyl ester?
The CAS number of Propanoic acid, 3-mercapto-, dodecyl ester is 6380-71-8.
What is the molecular formula of Propanoic acid, 3-mercapto-, dodecyl ester?
The molecular formula of Propanoic acid, 3-mercapto-, dodecyl ester is C15H30O2S.
What is the molecular weight of Propanoic acid, 3-mercapto-, dodecyl ester?
The molecular weight of Propanoic acid, 3-mercapto-, dodecyl ester is 274.20 g/mol.
Where can I buy Propanoic acid, 3-mercapto-, dodecyl ester?
You can request a quote for Propanoic acid, 3-mercapto-, dodecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 3-mercapto-, dodecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-mercapto-, dodecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.