Benzoic acid, 4-(phenylsulfonyl)-
TL;DR: Benzoic acid, 4-(phenylsulfonyl)- (CAS 5361-54-6) is a chemical compound with molecular formula C13H10O4S and molecular weight 262.02997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(benzenesulfonyl)benzoic acid
Also Known As: 4-Benzenesulfonylbenzoic acid, 4-(phenylsulfonyl)benzoic acid, 4-(benzenesulfonyl)benzoic acid, wortmannin, Benzoic acid, 4-(phenylsulfonyl)-
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H10O4S |
| Molecular Weight | 262.02997 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.02997 Da |
| Heavy Atoms | 18 |
| Complexity | 382.0 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O |
| InChIKey | PKXDNBNSQBZKFO-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-(phenylsulfonyl)-
Property Insights of Benzoic acid, 4-(phenylsulfonyl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(phenylsulfonyl)-. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(phenylsulfonyl)-. Following Lipinski's Rule of Five, Benzoic acid, 4-(phenylsulfonyl)- 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
What is the CAS number of Benzoic acid, 4-(phenylsulfonyl)-?
The CAS number of Benzoic acid, 4-(phenylsulfonyl)- is 5361-54-6.
What is the molecular formula of Benzoic acid, 4-(phenylsulfonyl)-?
The molecular formula of Benzoic acid, 4-(phenylsulfonyl)- is C13H10O4S.
What is the molecular weight of Benzoic acid, 4-(phenylsulfonyl)-?
The molecular weight of Benzoic acid, 4-(phenylsulfonyl)- is 262.02997 g/mol.
Where can I buy Benzoic acid, 4-(phenylsulfonyl)-?
You can request a quote for Benzoic acid, 4-(phenylsulfonyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-(phenylsulfonyl)-?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-(phenylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.