Octadecyl 3-(tridecylthio)butyrate
TL;DR: Octadecyl 3-(tridecylthio)butyrate (CAS 36986-15-9) 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 3-tridecylsulfanylbutanoate
Also Known As: octadecyl3- butyrate, Octadecyl 3-(tridecylthio)butyrate, EINECS 253-301-6, octadecyl 3-tridecylsulfanylbutanoate, 3-(Tridecylthio)butyric acid octadecyl ester
| Molecular Formula | C35H70O2S |
|---|---|
| Molecular Weight | 554.51 g/mol |
| LogP | 12.6139 |
| 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 | 36986-15-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CC(C)SCCCCCCCCCCCCC |
Product Overview
Octadecyl 3-(tridecylthio)butyrate (CAS 36986-15-9), with molecular formula C35H70O2S and molecular weight 554.51 g/mol. IUPAC: octadecyl 3-tridecylsulfanylbutanoate.
Chemical Property Profile of Octadecyl 3-(tridecylthio)butyrate
Property Insights of Octadecyl 3-(tridecylthio)butyrate
The XLogP value of 12.6139 indicates that Octadecyl 3-(tridecylthio)butyrate 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 3-(tridecylthio)butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecyl 3-(tridecylthio)butyrate 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 3-(tridecylthio)butyrate?
The CAS number of Octadecyl 3-(tridecylthio)butyrate is 36986-15-9.
What is the molecular formula of Octadecyl 3-(tridecylthio)butyrate?
The molecular formula of Octadecyl 3-(tridecylthio)butyrate is C35H70O2S.
What is the molecular weight of Octadecyl 3-(tridecylthio)butyrate?
The molecular weight of Octadecyl 3-(tridecylthio)butyrate is 554.51 g/mol.
Where can I buy Octadecyl 3-(tridecylthio)butyrate?
You can request a quote for Octadecyl 3-(tridecylthio)butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecyl 3-(tridecylthio)butyrate?
Yes, KEHONG BIO provides custom synthesis services for Octadecyl 3-(tridecylthio)butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.