3-巯基丙酸十五烷基酯
TL;DR: 3-巯基丙酸十五烷基酯 (CAS 70942-41-5) 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.
3-巯基丙酸十五烷基酯
pentadecyl 3-sulfanylpropanoate
Also Known As: pentadecyl 3-sulfanylpropanoate, Pentadecyl 3-mercaptopropionate, 3-Mercaptopropanoic acid, pentadecyl ester, 3-Mercaptopropanoicacidpentadecylester, Propanoic acid, 3-mercapto-, pentadecyl ester
| Molecular Formula | C18H36O2S |
|---|---|
| Molecular Weight | 316.24 g/mol |
| LogP | 7.4 |
| 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 | 70942-41-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCOC(=O)CCS |
| InChIKey | WZVOSGCKRGEQOD-UHFFFAOYSA-N |
Product Overview
3-巯基丙酸十五烷基酯 (CAS 70942-41-5), with molecular formula C18H36O2S and molecular weight 316.24 g/mol. IUPAC: pentadecyl 3-sulfanylpropanoate.
Chemical Property Profile of 3-巯基丙酸十五烷基酯
Property Insights of 3-巯基丙酸十五烷基酯
The XLogP value of 7.4 indicates that 3-巯基丙酸十五烷基酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.3 Ų, 3-巯基丙酸十五烷基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-巯基丙酸十五烷基酯 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 3-巯基丙酸十五烷基酯?
The CAS number of 3-巯基丙酸十五烷基酯 is 70942-41-5.
What is the molecular formula of 3-巯基丙酸十五烷基酯?
The molecular formula of 3-巯基丙酸十五烷基酯 is C18H36O2S.
What is the molecular weight of 3-巯基丙酸十五烷基酯?
The molecular weight of 3-巯基丙酸十五烷基酯 is 316.24 g/mol.
Where can I buy 3-巯基丙酸十五烷基酯?
You can request a quote for 3-巯基丙酸十五烷基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-巯基丙酸十五烷基酯?
Yes, KEHONG BIO provides custom synthesis services for 3-巯基丙酸十五烷基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.