2-(Carboxymethoxy)-6-(2-sulfanylethyl)benzoic acid
TL;DR: 2-(Carboxymethoxy)-6-(2-sulfanylethyl)benzoic acid (CAS 378242-72-9) is a chemical compound with molecular formula C11H12O5S and molecular weight 256.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(carboxymethoxy)-6-(2-sulfanylethyl)benzoic acid
Also Known As: 2-(carboxymethoxy)-6-(2-mercaptoethyl)-benzoic acid, 2-(carboxymethoxy)-6-(2-sulfanylethyl)benzoic Acid
| Molecular Formula | C11H12O5S |
|---|---|
| Molecular Weight | 256.04 g/mol |
| LogP | 1.3205 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 256.04056 |
| Heavy Atoms | 17 |
| Complexity | 429.87 |
Chemical Identifiers
| CAS Number | 378242-72-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)OCC(=O)O)C(=O)O)CCS |
Product Overview
2-(Carboxymethoxy)-6-(2-sulfanylethyl)benzoic acid (CAS 378242-72-9), with molecular formula C11H12O5S and molecular weight 256.04 g/mol. IUPAC: 2-(carboxymethoxy)-6-(2-sulfanylethyl)benzoic acid.
Chemical Property Profile of 2-(Carboxymethoxy)-6-(2-sulfanylethyl)benzoic acid
Property Insights of 2-(Carboxymethoxy)-6-(2-sulfanylethyl)benzoic acid
The XLogP value of 1.3205 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Carboxymethoxy)-6-(2-sulfanylethyl)benzoic acid. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Carboxymethoxy)-6-(2-sulfanylethyl)benzoic acid. Following Lipinski's Rule of Five, 2-(Carboxymethoxy)-6-(2-sulfanylethyl)benzoic acid has 3 hydrogen bond donor(s) and 4 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-(Carboxymethoxy)-6-(2-sulfanylethyl)benzoic acid?
The CAS number of 2-(Carboxymethoxy)-6-(2-sulfanylethyl)benzoic acid is 378242-72-9.
What is the molecular formula of 2-(Carboxymethoxy)-6-(2-sulfanylethyl)benzoic acid?
The molecular formula of 2-(Carboxymethoxy)-6-(2-sulfanylethyl)benzoic acid is C11H12O5S.
What is the molecular weight of 2-(Carboxymethoxy)-6-(2-sulfanylethyl)benzoic acid?
The molecular weight of 2-(Carboxymethoxy)-6-(2-sulfanylethyl)benzoic acid is 256.04 g/mol.
Where can I buy 2-(Carboxymethoxy)-6-(2-sulfanylethyl)benzoic acid?
You can request a quote for 2-(Carboxymethoxy)-6-(2-sulfanylethyl)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-(Carboxymethoxy)-6-(2-sulfanylethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Carboxymethoxy)-6-(2-sulfanylethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.