Methyl 9-thia-octadecanoate
TL;DR: Methyl 9-thia-octadecanoate (CAS 114119-38-9) 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.
methyl 8-nonylsulfanyloctanoate
Also Known As: Anti-TIMP-4, methyl 9-thiastearate, Methyl 8-nonylsulfanyloctanoate, Methyl 9-thia-octadecanoate, 9-Thiastearic acid methyl ester
| Molecular Formula | C18H36O2S |
|---|---|
| Molecular Weight | 316.24 g/mol |
| LogP | 5.9838 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 316.2436 |
| Heavy Atoms | 21 |
| Complexity | 219.26387 |
Chemical Identifiers
| CAS Number | 114119-38-9 |
|---|---|
| SMILES | CCCCCCCCCSCCCCCCCC(=O)OC |
Product Overview
Methyl 9-thia-octadecanoate (CAS 114119-38-9), with molecular formula C18H36O2S and molecular weight 316.24 g/mol. IUPAC: methyl 8-nonylsulfanyloctanoate.
Chemical Property Profile of Methyl 9-thia-octadecanoate
Property Insights of Methyl 9-thia-octadecanoate
The XLogP value of 5.9838 indicates that Methyl 9-thia-octadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 9-thia-octadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 9-thia-octadecanoate 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 Methyl 9-thia-octadecanoate?
The CAS number of Methyl 9-thia-octadecanoate is 114119-38-9.
What is the molecular formula of Methyl 9-thia-octadecanoate?
The molecular formula of Methyl 9-thia-octadecanoate is C18H36O2S.
What is the molecular weight of Methyl 9-thia-octadecanoate?
The molecular weight of Methyl 9-thia-octadecanoate is 316.24 g/mol.
Where can I buy Methyl 9-thia-octadecanoate?
You can request a quote for Methyl 9-thia-octadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 9-thia-octadecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 9-thia-octadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.