3-(十二烷基硫基)-2-甲基丙酸甲酯
TL;DR: 3-(十二烷基硫基)-2-甲基丙酸甲酯 (CAS 16832-25-0) is a chemical compound with molecular formula C17H34O2S and molecular weight 302.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(十二烷基硫基)-2-甲基丙酸甲酯
methyl 3-dodecylsulfanyl-2-methylpropanoate
Also Known As: Propanoic acid, 3-(dodecylthio)-2-methyl-, methyl ester, methyl 3-(dodecylsulfanyl)-2-methylpropanoate, methyl 3-dodecylthio-2-methylpropanoate, methyl 3-dodecylsulfanyl-2-methylpropanoate, 2-(Dodecylthiomethyl)propionic acid methyl ester
| Molecular Formula | C17H34O2S |
|---|---|
| Molecular Weight | 302.23 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 302.22797 |
| Heavy Atoms | 20 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 16832-25-0 |
|---|---|
| SMILES | CCCCCCCCCCCCSCC(C)C(=O)OC |
| InChIKey | ZMSIPKAIEUNIPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(十二烷基硫基)-2-甲基丙酸甲酯 (CAS 16832-25-0), with molecular formula C17H34O2S and molecular weight 302.23 g/mol. IUPAC: methyl 3-dodecylsulfanyl-2-methylpropanoate.
Chemical Property Profile of 3-(十二烷基硫基)-2-甲基丙酸甲酯
Property Insights of 3-(十二烷基硫基)-2-甲基丙酸甲酯
The XLogP value of 6.9 indicates that 3-(十二烷基硫基)-2-甲基丙酸甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, 3-(十二烷基硫基)-2-甲基丙酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(十二烷基硫基)-2-甲基丙酸甲酯 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 3-(十二烷基硫基)-2-甲基丙酸甲酯?
The CAS number of 3-(十二烷基硫基)-2-甲基丙酸甲酯 is 16832-25-0.
What is the molecular formula of 3-(十二烷基硫基)-2-甲基丙酸甲酯?
The molecular formula of 3-(十二烷基硫基)-2-甲基丙酸甲酯 is C17H34O2S.
What is the molecular weight of 3-(十二烷基硫基)-2-甲基丙酸甲酯?
The molecular weight of 3-(十二烷基硫基)-2-甲基丙酸甲酯 is 302.23 g/mol.
Where can I buy 3-(十二烷基硫基)-2-甲基丙酸甲酯?
You can request a quote for 3-(十二烷基硫基)-2-甲基丙酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(十二烷基硫基)-2-甲基丙酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 3-(十二烷基硫基)-2-甲基丙酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.