11-(Methylthio)undecanoic acid
TL;DR: 11-(Methylthio)undecanoic acid (CAS 80683-81-4) 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.
11-methylsulfanylundecanoic acid
Also Known As: 12-thiatridecanoic acid, 11-(methylthio)undecanoic acid, 11-methylsulfanylundecanoic acid, 11-(methylthio)-undecanoic acid, Undecanoic acid,11-(methylthio)-
| Molecular Formula | C12H24O2S |
|---|---|
| Molecular Weight | 232.15 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 62.6 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 | 80683-81-4 |
|---|---|
| SMILES | CSCCCCCCCCCCC(=O)O |
| InChIKey | AWOGYVKODMFDOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
11-(Methylthio)undecanoic acid (CAS 80683-81-4), with molecular formula C12H24O2S and molecular weight 232.15 g/mol. IUPAC: 11-methylsulfanylundecanoic acid.
Chemical Property Profile of 11-(Methylthio)undecanoic acid
Property Insights of 11-(Methylthio)undecanoic acid
The XLogP value of 4.2 indicates that 11-(Methylthio)undecanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-(Methylthio)undecanoic acid. Following Lipinski's Rule of Five, 11-(Methylthio)undecanoic acid 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 11-(Methylthio)undecanoic acid?
The CAS number of 11-(Methylthio)undecanoic acid is 80683-81-4.
What is the molecular formula of 11-(Methylthio)undecanoic acid?
The molecular formula of 11-(Methylthio)undecanoic acid is C12H24O2S.
What is the molecular weight of 11-(Methylthio)undecanoic acid?
The molecular weight of 11-(Methylthio)undecanoic acid is 232.15 g/mol.
Where can I buy 11-(Methylthio)undecanoic acid?
You can request a quote for 11-(Methylthio)undecanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-(Methylthio)undecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 11-(Methylthio)undecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.