2-Benzyl-3-mercaptopropanoic acid
TL;DR: 2-Benzyl-3-mercaptopropanoic acid (CAS 89799-12-2) is a chemical compound with molecular formula C10H12O2S and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-3-sulfanylpropanoic acid
Also Known As: 2-Benzyl-3-mercaptopropanoic acid, 2-benzyl-3-sulfanylpropanoic acid, SQ14,603, 2-Benzyl-3-mercapto-propionic acid, SQ 14,603
| Molecular Formula | C10H12O2S |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.0558 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 89799-12-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(CS)C(=O)O |
| InChIKey | ZUEBVBPVXLQMQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzyl-3-mercaptopropanoic acid (CAS 89799-12-2), with molecular formula C10H12O2S and molecular weight 196.06 g/mol. IUPAC: 2-benzyl-3-sulfanylpropanoic acid.
Chemical Property Profile of 2-Benzyl-3-mercaptopropanoic acid
Property Insights of 2-Benzyl-3-mercaptopropanoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-3-mercaptopropanoic acid. With a topological polar surface area (TPSA) of 38.3 Ų, 2-Benzyl-3-mercaptopropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-3-mercaptopropanoic acid has 2 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 2-Benzyl-3-mercaptopropanoic acid?
The CAS number of 2-Benzyl-3-mercaptopropanoic acid is 89799-12-2.
What is the molecular formula of 2-Benzyl-3-mercaptopropanoic acid?
The molecular formula of 2-Benzyl-3-mercaptopropanoic acid is C10H12O2S.
What is the molecular weight of 2-Benzyl-3-mercaptopropanoic acid?
The molecular weight of 2-Benzyl-3-mercaptopropanoic acid is 196.06 g/mol.
Where can I buy 2-Benzyl-3-mercaptopropanoic acid?
You can request a quote for 2-Benzyl-3-mercaptopropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-3-mercaptopropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-3-mercaptopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.