2-((4-(Carboxymethoxy)phenyl)thio)benzoic acid
TL;DR: 2-((4-(Carboxymethoxy)phenyl)thio)benzoic acid (CAS 83817-54-3) is a chemical compound with molecular formula C15H12O5S and molecular weight 304.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(carboxymethoxy)phenyl]sulfanylbenzoic acid
Also Known As: EINECS 280-954-4, 2-[[4-(carboxymethoxy)phenyl]thio]benzoic acid, 2-((4-(Carboxymethoxy)phenyl)thio)benzoic acid, 2-[4-(carboxymethoxy)phenyl]sulfanylbenzoic acid, 2-[4-(carboxymethyloxy)phenyl]sulfanylbenzoic acid
| Molecular Formula | C15H12O5S |
|---|---|
| Molecular Weight | 304.04 g/mol |
| LogP | 2.9994 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.04056 |
| Heavy Atoms | 21 |
| Complexity | 651.36847 |
Chemical Identifiers
| CAS Number | 83817-54-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)SC2=CC=C(C=C2)OCC(=O)O |
Product Overview
2-((4-(Carboxymethoxy)phenyl)thio)benzoic acid (CAS 83817-54-3), with molecular formula C15H12O5S and molecular weight 304.04 g/mol. IUPAC: 2-[4-(carboxymethoxy)phenyl]sulfanylbenzoic acid.
Chemical Property Profile of 2-((4-(Carboxymethoxy)phenyl)thio)benzoic acid
Property Insights of 2-((4-(Carboxymethoxy)phenyl)thio)benzoic acid
The XLogP value of 2.9994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-(Carboxymethoxy)phenyl)thio)benzoic acid. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(Carboxymethoxy)phenyl)thio)benzoic acid. Following Lipinski's Rule of Five, 2-((4-(Carboxymethoxy)phenyl)thio)benzoic acid has 2 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-((4-(Carboxymethoxy)phenyl)thio)benzoic acid?
The CAS number of 2-((4-(Carboxymethoxy)phenyl)thio)benzoic acid is 83817-54-3.
What is the molecular formula of 2-((4-(Carboxymethoxy)phenyl)thio)benzoic acid?
The molecular formula of 2-((4-(Carboxymethoxy)phenyl)thio)benzoic acid is C15H12O5S.
What is the molecular weight of 2-((4-(Carboxymethoxy)phenyl)thio)benzoic acid?
The molecular weight of 2-((4-(Carboxymethoxy)phenyl)thio)benzoic acid is 304.04 g/mol.
Where can I buy 2-((4-(Carboxymethoxy)phenyl)thio)benzoic acid?
You can request a quote for 2-((4-(Carboxymethoxy)phenyl)thio)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-((4-(Carboxymethoxy)phenyl)thio)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(Carboxymethoxy)phenyl)thio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.