4-Benzenesulfinyl-benzoic acid
TL;DR: 4-Benzenesulfinyl-benzoic acid (CAS 33815-60-0) is a chemical compound with molecular formula C13H10O3S and molecular weight 246.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfinyl)benzoic acid
Also Known As: 4-(benzenesulfinyl)benzoic acid, 4-(phenylsulfinyl)benzoic acid, 4-benzenesulfinyl-benzoic acid, RefChem:290227
| Molecular Formula | C13H10O3S |
|---|---|
| Molecular Weight | 246.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.03506 |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 33815-60-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)C2=CC=C(C=C2)C(=O)O |
| InChIKey | SGIZMVQAALLJJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Benzenesulfinyl-benzoic acid (CAS 33815-60-0), with molecular formula C13H10O3S and molecular weight 246.04 g/mol. IUPAC: 4-(benzenesulfinyl)benzoic acid.
Chemical Property Profile of 4-Benzenesulfinyl-benzoic acid
Property Insights of 4-Benzenesulfinyl-benzoic acid
The XLogP value of 3.2 indicates that 4-Benzenesulfinyl-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzenesulfinyl-benzoic acid. Following Lipinski's Rule of Five, 4-Benzenesulfinyl-benzoic 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 4-Benzenesulfinyl-benzoic acid?
The CAS number of 4-Benzenesulfinyl-benzoic acid is 33815-60-0.
What is the molecular formula of 4-Benzenesulfinyl-benzoic acid?
The molecular formula of 4-Benzenesulfinyl-benzoic acid is C13H10O3S.
What is the molecular weight of 4-Benzenesulfinyl-benzoic acid?
The molecular weight of 4-Benzenesulfinyl-benzoic acid is 246.04 g/mol.
Where can I buy 4-Benzenesulfinyl-benzoic acid?
You can request a quote for 4-Benzenesulfinyl-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzenesulfinyl-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzenesulfinyl-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.