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2-[2-(2-Carboxyphenyl)sulfanylethylsulfanyl]benzoic acid
TL;DR: 2-[2-(2-Carboxyphenyl)sulfanylethylsulfanyl]benzoic acid (CAS 52961-83-8) is a chemical compound with molecular formula C16H14O4S2 and molecular weight 334.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-carboxyphenyl)sulfanylethylsulfanyl]benzoic acid
Also Known As: BAS 01259263, 1,2-bis-(2-carboxyphenylmercapto)-ethane, 2,2'-ethanediyldimercapto-di-benzoic acid, BIM-0014245.P001, 2-[2-(2-carboxyphenyl)sulfanylethylsulfanyl]benzoic acid
| Molecular Formula | C16H14O4S2 |
|---|---|
| Molecular Weight | 334.03 g/mol |
| LogP | 3.9674 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.03336 |
| Heavy Atoms | 22 |
| Complexity | 625.85095 |
Chemical Identifiers
| CAS Number | 52961-83-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)SCCSC2=CC=CC=C2C(=O)O |
Product Overview
2-[2-(2-Carboxyphenyl)sulfanylethylsulfanyl]benzoic acid (CAS 52961-83-8), with molecular formula C16H14O4S2 and molecular weight 334.03 g/mol. IUPAC: 2-[2-(2-carboxyphenyl)sulfanylethylsulfanyl]benzoic acid.
Chemical Property Profile of 2-[2-(2-Carboxyphenyl)sulfanylethylsulfanyl]benzoic acid
Property Insights of 2-[2-(2-Carboxyphenyl)sulfanylethylsulfanyl]benzoic acid
The XLogP value of 3.9674 indicates that 2-[2-(2-Carboxyphenyl)sulfanylethylsulfanyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(2-Carboxyphenyl)sulfanylethylsulfanyl]benzoic acid. Following Lipinski's Rule of Five, 2-[2-(2-Carboxyphenyl)sulfanylethylsulfanyl]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-[2-(2-Carboxyphenyl)sulfanylethylsulfanyl]benzoic acid?
The CAS number of 2-[2-(2-Carboxyphenyl)sulfanylethylsulfanyl]benzoic acid is 52961-83-8.
What is the molecular formula of 2-[2-(2-Carboxyphenyl)sulfanylethylsulfanyl]benzoic acid?
The molecular formula of 2-[2-(2-Carboxyphenyl)sulfanylethylsulfanyl]benzoic acid is C16H14O4S2.
What is the molecular weight of 2-[2-(2-Carboxyphenyl)sulfanylethylsulfanyl]benzoic acid?
The molecular weight of 2-[2-(2-Carboxyphenyl)sulfanylethylsulfanyl]benzoic acid is 334.03 g/mol.
Where can I buy 2-[2-(2-Carboxyphenyl)sulfanylethylsulfanyl]benzoic acid?
You can request a quote for 2-[2-(2-Carboxyphenyl)sulfanylethylsulfanyl]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-[2-(2-Carboxyphenyl)sulfanylethylsulfanyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(2-Carboxyphenyl)sulfanylethylsulfanyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.