3-(2-Amino-3-mercapto-propyl)-benzoic acid
TL;DR: 3-(2-Amino-3-mercapto-propyl)-benzoic acid (CAS 623585-50-2) is a chemical compound with molecular formula C10H13NO2S and molecular weight 211.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-amino-3-sulfanylpropyl)benzoic acid
Also Known As: 3-(2-amino-3-mercaptopropyl)benzoic acid, 3-(2-amino-3-sulfanyl-propyl)benzoic Acid, 3-(2-Amino-3-mercapto-propyl)-benzoic acid, Benzoic acid, 3-(2-amino-3-mercaptopropyl)-
| Molecular Formula | C10H13NO2S |
|---|---|
| Molecular Weight | 211.07 g/mol |
| LogP | 1.1844 |
| Topological Polar Surface Area | 63.32 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.0667 |
| Heavy Atoms | 14 |
| Complexity | 327.65295 |
Chemical Identifiers
| CAS Number | 623585-50-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)CC(CS)N |
Product Overview
3-(2-Amino-3-mercapto-propyl)-benzoic acid (CAS 623585-50-2), with molecular formula C10H13NO2S and molecular weight 211.07 g/mol. IUPAC: 3-(2-amino-3-sulfanylpropyl)benzoic acid.
Chemical Property Profile of 3-(2-Amino-3-mercapto-propyl)-benzoic acid
Property Insights of 3-(2-Amino-3-mercapto-propyl)-benzoic acid
The XLogP value of 1.1844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Amino-3-mercapto-propyl)-benzoic acid. The TPSA of 63.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Amino-3-mercapto-propyl)-benzoic acid. Following Lipinski's Rule of Five, 3-(2-Amino-3-mercapto-propyl)-benzoic acid has 3 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 3-(2-Amino-3-mercapto-propyl)-benzoic acid?
The CAS number of 3-(2-Amino-3-mercapto-propyl)-benzoic acid is 623585-50-2.
What is the molecular formula of 3-(2-Amino-3-mercapto-propyl)-benzoic acid?
The molecular formula of 3-(2-Amino-3-mercapto-propyl)-benzoic acid is C10H13NO2S.
What is the molecular weight of 3-(2-Amino-3-mercapto-propyl)-benzoic acid?
The molecular weight of 3-(2-Amino-3-mercapto-propyl)-benzoic acid is 211.07 g/mol.
Where can I buy 3-(2-Amino-3-mercapto-propyl)-benzoic acid?
You can request a quote for 3-(2-Amino-3-mercapto-propyl)-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Amino-3-mercapto-propyl)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Amino-3-mercapto-propyl)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.