2-Benzoylsulfanylbenzoic acid
TL;DR: 2-Benzoylsulfanylbenzoic acid (CAS 40150-98-9) is a chemical compound with molecular formula C14H10O3S and molecular weight 258.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoylsulfanylbenzoic acid
Also Known As: 2-benzoylsulfanylbenzoic acid, 2-(benzoylsulfanyl)benzoic acid, Acide-benzoylthiosalicylique, NCIOpen2_005507, 2-Benzoylsulfanyl-benzoic acid
| Molecular Formula | C14H10O3S |
|---|---|
| Molecular Weight | 258.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.03506 |
| Heavy Atoms | 18 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 40150-98-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)SC2=CC=CC=C2C(=O)O |
| InChIKey | AYYGQBKLLWSKJB-UHFFFAOYSA-N |
Product Overview
2-Benzoylsulfanylbenzoic acid (CAS 40150-98-9), with molecular formula C14H10O3S and molecular weight 258.04 g/mol. IUPAC: 2-benzoylsulfanylbenzoic acid.
Chemical Property Profile of 2-Benzoylsulfanylbenzoic acid
Property Insights of 2-Benzoylsulfanylbenzoic acid
The XLogP value of 3.4 indicates that 2-Benzoylsulfanylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzoylsulfanylbenzoic acid. Following Lipinski's Rule of Five, 2-Benzoylsulfanylbenzoic acid has 1 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-Benzoylsulfanylbenzoic acid?
The CAS number of 2-Benzoylsulfanylbenzoic acid is 40150-98-9.
What is the molecular formula of 2-Benzoylsulfanylbenzoic acid?
The molecular formula of 2-Benzoylsulfanylbenzoic acid is C14H10O3S.
What is the molecular weight of 2-Benzoylsulfanylbenzoic acid?
The molecular weight of 2-Benzoylsulfanylbenzoic acid is 258.04 g/mol.
Where can I buy 2-Benzoylsulfanylbenzoic acid?
You can request a quote for 2-Benzoylsulfanylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoylsulfanylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoylsulfanylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.