Octadecyl 2-methyl-3-(tridecylthio)propionate
TL;DR: Octadecyl 2-methyl-3-(tridecylthio)propionate (CAS 36994-36-2) is a chemical compound with molecular formula C35H70O2S and molecular weight 554.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadecyl 2-methyl-3-tridecylsulfanylpropanoate
Also Known As: EINECS 253-302-1, Octadecyl 2-methyl-3-(tridecylthio)propionate, octadecyl 2-methyl-3-tridecylsulfanylpropanoate, OCTADECYL 2-METHYL-3-(TRIDECYLSULFANYL)PROPANOATE, 2-Methyl-3-(tridecylthio)propanoic acid octadecyl ester
| Molecular Formula | C35H70O2S |
|---|---|
| Molecular Weight | 554.51 g/mol |
| LogP | 12.4714 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 32 |
| Exact Mass | 554.50964 |
| Heavy Atoms | 38 |
| Complexity | 453.2156 |
Chemical Identifiers
| CAS Number | 36994-36-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)C(C)CSCCCCCCCCCCCCC |
Product Overview
Octadecyl 2-methyl-3-(tridecylthio)propionate (CAS 36994-36-2), with molecular formula C35H70O2S and molecular weight 554.51 g/mol. IUPAC: octadecyl 2-methyl-3-tridecylsulfanylpropanoate.
Chemical Property Profile of Octadecyl 2-methyl-3-(tridecylthio)propionate
Property Insights of Octadecyl 2-methyl-3-(tridecylthio)propionate
The XLogP value of 12.4714 indicates that Octadecyl 2-methyl-3-(tridecylthio)propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Octadecyl 2-methyl-3-(tridecylthio)propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecyl 2-methyl-3-(tridecylthio)propionate 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 Octadecyl 2-methyl-3-(tridecylthio)propionate?
The CAS number of Octadecyl 2-methyl-3-(tridecylthio)propionate is 36994-36-2.
What is the molecular formula of Octadecyl 2-methyl-3-(tridecylthio)propionate?
The molecular formula of Octadecyl 2-methyl-3-(tridecylthio)propionate is C35H70O2S.
What is the molecular weight of Octadecyl 2-methyl-3-(tridecylthio)propionate?
The molecular weight of Octadecyl 2-methyl-3-(tridecylthio)propionate is 554.51 g/mol.
Where can I buy Octadecyl 2-methyl-3-(tridecylthio)propionate?
You can request a quote for Octadecyl 2-methyl-3-(tridecylthio)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecyl 2-methyl-3-(tridecylthio)propionate?
Yes, KEHONG BIO provides custom synthesis services for Octadecyl 2-methyl-3-(tridecylthio)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.