3-(3,4-Dimethylphenyl)-2-mercaptopropanoic acid
TL;DR: 3-(3,4-Dimethylphenyl)-2-mercaptopropanoic acid (CAS 851398-73-7) is a chemical compound with molecular formula C11H14O2S and molecular weight 210.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethylphenyl)-2-sulfanylpropanoic acid
Also Known As: 3-(3,4-Dimethylphenyl)-2-mercaptopropanoic acid, 3-(3,4-dimethylphenyl)-2-sulfanylpropanoic acid, AB01333111-02, 3-(3,4-dimethylphenyl)-2-sulfanyl-propanoic Acid, 3-(3,4-Dimethyl-phenyl)-2-mercapto-propionic acid
| Molecular Formula | C11H14O2S |
|---|---|
| Molecular Weight | 210.07 g/mol |
| LogP | 2.22894 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.07146 |
| Heavy Atoms | 14 |
| Complexity | 347.1408 |
Chemical Identifiers
| CAS Number | 851398-73-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)CC(C(=O)O)S)C |
Product Overview
3-(3,4-Dimethylphenyl)-2-mercaptopropanoic acid (CAS 851398-73-7), with molecular formula C11H14O2S and molecular weight 210.07 g/mol. IUPAC: 3-(3,4-dimethylphenyl)-2-sulfanylpropanoic acid.
Chemical Property Profile of 3-(3,4-Dimethylphenyl)-2-mercaptopropanoic acid
Property Insights of 3-(3,4-Dimethylphenyl)-2-mercaptopropanoic acid
The XLogP value of 2.22894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dimethylphenyl)-2-mercaptopropanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(3,4-Dimethylphenyl)-2-mercaptopropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dimethylphenyl)-2-mercaptopropanoic acid has 2 hydrogen bond donor(s) and 2 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 3-(3,4-Dimethylphenyl)-2-mercaptopropanoic acid?
The CAS number of 3-(3,4-Dimethylphenyl)-2-mercaptopropanoic acid is 851398-73-7.
What is the molecular formula of 3-(3,4-Dimethylphenyl)-2-mercaptopropanoic acid?
The molecular formula of 3-(3,4-Dimethylphenyl)-2-mercaptopropanoic acid is C11H14O2S.
What is the molecular weight of 3-(3,4-Dimethylphenyl)-2-mercaptopropanoic acid?
The molecular weight of 3-(3,4-Dimethylphenyl)-2-mercaptopropanoic acid is 210.07 g/mol.
Where can I buy 3-(3,4-Dimethylphenyl)-2-mercaptopropanoic acid?
You can request a quote for 3-(3,4-Dimethylphenyl)-2-mercaptopropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dimethylphenyl)-2-mercaptopropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethylphenyl)-2-mercaptopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.