2-Carboxymethyl-6-(2-mercapto-ethyl)-benzoic acid
TL;DR: 2-Carboxymethyl-6-(2-mercapto-ethyl)-benzoic acid (CAS 477351-17-0) is a chemical compound with molecular formula C11H12O4S and molecular weight 240.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(carboxymethyl)-6-(2-sulfanylethyl)benzoic acid
Also Known As: 2-carboxymethyl-6-(2-mercaptoethyl)-benzoic acid, 2-(carboxymethyl)-6-(2-sulfanylethyl)benzoic Acid, 2-carboxymethyl-6-(2-mercapto-ethyl)-benzoic acid
| Molecular Formula | C11H12O4S |
|---|---|
| Molecular Weight | 240.05 g/mol |
| LogP | 1.4842 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.04562 |
| Heavy Atoms | 16 |
| Complexity | 414.44562 |
Chemical Identifiers
| CAS Number | 477351-17-0 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)CC(=O)O)C(=O)O)CCS |
Product Overview
2-Carboxymethyl-6-(2-mercapto-ethyl)-benzoic acid (CAS 477351-17-0), with molecular formula C11H12O4S and molecular weight 240.05 g/mol. IUPAC: 2-(carboxymethyl)-6-(2-sulfanylethyl)benzoic acid.
Chemical Property Profile of 2-Carboxymethyl-6-(2-mercapto-ethyl)-benzoic acid
Property Insights of 2-Carboxymethyl-6-(2-mercapto-ethyl)-benzoic acid
The XLogP value of 1.4842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Carboxymethyl-6-(2-mercapto-ethyl)-benzoic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Carboxymethyl-6-(2-mercapto-ethyl)-benzoic acid. Following Lipinski's Rule of Five, 2-Carboxymethyl-6-(2-mercapto-ethyl)-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 2-Carboxymethyl-6-(2-mercapto-ethyl)-benzoic acid?
The CAS number of 2-Carboxymethyl-6-(2-mercapto-ethyl)-benzoic acid is 477351-17-0.
What is the molecular formula of 2-Carboxymethyl-6-(2-mercapto-ethyl)-benzoic acid?
The molecular formula of 2-Carboxymethyl-6-(2-mercapto-ethyl)-benzoic acid is C11H12O4S.
What is the molecular weight of 2-Carboxymethyl-6-(2-mercapto-ethyl)-benzoic acid?
The molecular weight of 2-Carboxymethyl-6-(2-mercapto-ethyl)-benzoic acid is 240.05 g/mol.
Where can I buy 2-Carboxymethyl-6-(2-mercapto-ethyl)-benzoic acid?
You can request a quote for 2-Carboxymethyl-6-(2-mercapto-ethyl)-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Carboxymethyl-6-(2-mercapto-ethyl)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Carboxymethyl-6-(2-mercapto-ethyl)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.