Propanoic acid, 3-(dodecylthio)-, methyl ester
TL;DR: Propanoic acid, 3-(dodecylthio)-, methyl ester (CAS 19759-75-2) is a chemical compound with molecular formula C16H32O2S and molecular weight 288.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-dodecylsulfanylpropanoate
Also Known As: Methyl 3-dodecylthiopropanoate, Methyl 3-(laurylthio)propionate, Methyl 3-(dodecylthio)propionate, methyl 3-dodecylsulfanylpropanoate, METHYL 3-(DODECYLSULFANYL)PROPANOATE
| Molecular Formula | C16H32O2S |
|---|---|
| Molecular Weight | 288.21 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 288.2123 |
| Heavy Atoms | 19 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 19759-75-2 |
|---|---|
| SMILES | CCCCCCCCCCCCSCCC(=O)OC |
| InChIKey | VSIGYUOJAOCSKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 3-(dodecylthio)-, methyl ester (CAS 19759-75-2), with molecular formula C16H32O2S and molecular weight 288.21 g/mol. IUPAC: methyl 3-dodecylsulfanylpropanoate.
Chemical Property Profile of Propanoic acid, 3-(dodecylthio)-, methyl ester
Property Insights of Propanoic acid, 3-(dodecylthio)-, methyl ester
The XLogP value of 6.3 indicates that Propanoic acid, 3-(dodecylthio)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, Propanoic acid, 3-(dodecylthio)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 3-(dodecylthio)-, methyl ester has 0 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-(dodecylthio)-, methyl ester?
The CAS number of Propanoic acid, 3-(dodecylthio)-, methyl ester is 19759-75-2.
What is the molecular formula of Propanoic acid, 3-(dodecylthio)-, methyl ester?
The molecular formula of Propanoic acid, 3-(dodecylthio)-, methyl ester is C16H32O2S.
What is the molecular weight of Propanoic acid, 3-(dodecylthio)-, methyl ester?
The molecular weight of Propanoic acid, 3-(dodecylthio)-, methyl ester is 288.21 g/mol.
Where can I buy Propanoic acid, 3-(dodecylthio)-, methyl ester?
You can request a quote for Propanoic acid, 3-(dodecylthio)-, methyl 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-(dodecylthio)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-(dodecylthio)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.