Methyl 11-mercaptoundecanoate
TL;DR: Methyl 11-mercaptoundecanoate (CAS 73391-27-2) is a chemical compound with molecular formula C12H24O2S and molecular weight 232.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 11-sulfanylundecanoate
Also Known As: methyl 11-sulfanylundecanoate, methyl 11-mercaptoundecanoate, 11-Mercapto-undecansaeure-methylester, 11-Mercaptoundecanoic acid methyl ester, Undecanoic acid, 11-mercapto-, methyl ester
| Molecular Formula | C12H24O2S |
|---|---|
| Molecular Weight | 232.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 232.1497 |
| Heavy Atoms | 15 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 73391-27-2 |
|---|---|
| SMILES | COC(=O)CCCCCCCCCCS |
| InChIKey | ONZUTDDACQHPTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 11-mercaptoundecanoate (CAS 73391-27-2), with molecular formula C12H24O2S and molecular weight 232.15 g/mol. IUPAC: methyl 11-sulfanylundecanoate.
Chemical Property Profile of Methyl 11-mercaptoundecanoate
Property Insights of Methyl 11-mercaptoundecanoate
The XLogP value of 4.1 indicates that Methyl 11-mercaptoundecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.3 Ų, Methyl 11-mercaptoundecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 11-mercaptoundecanoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 11-mercaptoundecanoate?
The CAS number of Methyl 11-mercaptoundecanoate is 73391-27-2.
What is the molecular formula of Methyl 11-mercaptoundecanoate?
The molecular formula of Methyl 11-mercaptoundecanoate is C12H24O2S.
What is the molecular weight of Methyl 11-mercaptoundecanoate?
The molecular weight of Methyl 11-mercaptoundecanoate is 232.15 g/mol.
Where can I buy Methyl 11-mercaptoundecanoate?
You can request a quote for Methyl 11-mercaptoundecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 11-mercaptoundecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 11-mercaptoundecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.