3-(2-Phenylethenesulfonamido)benzoic acid
TL;DR: 3-(2-Phenylethenesulfonamido)benzoic acid (CAS 312592-88-4) is a chemical compound with molecular formula C15H13NO4S and molecular weight 303.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid
Also Known As: 3-(2-Phenylethenesulfonamido)benzoic acid, 3-(2-Phenylethenesulfonamido)benzoicacid, 3-(2-Phenyl-ethenesulfonylamino)-benzoic acid, 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid, 3-{[((1E)-2-phenylvinyl)sulfonyl]amino}benzoic acid
| Molecular Formula | C15H13NO4S |
|---|---|
| Molecular Weight | 303.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.05652 |
| Heavy Atoms | 21 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 312592-88-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/S(=O)(=O)NC2=CC=CC(=C2)C(=O)O |
| InChIKey | XCLRXFSRZUJEQY-MDZDMXLPSA-N |
Product Overview
3-(2-Phenylethenesulfonamido)benzoic acid (CAS 312592-88-4), with molecular formula C15H13NO4S and molecular weight 303.06 g/mol. IUPAC: 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoic acid.
Chemical Property Profile of 3-(2-Phenylethenesulfonamido)benzoic acid
Property Insights of 3-(2-Phenylethenesulfonamido)benzoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Phenylethenesulfonamido)benzoic acid. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Phenylethenesulfonamido)benzoic acid. Following Lipinski's Rule of Five, 3-(2-Phenylethenesulfonamido)benzoic acid has 2 hydrogen bond donor(s) and 5 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 3-(2-Phenylethenesulfonamido)benzoic acid?
The CAS number of 3-(2-Phenylethenesulfonamido)benzoic acid is 312592-88-4.
What is the molecular formula of 3-(2-Phenylethenesulfonamido)benzoic acid?
The molecular formula of 3-(2-Phenylethenesulfonamido)benzoic acid is C15H13NO4S.
What is the molecular weight of 3-(2-Phenylethenesulfonamido)benzoic acid?
The molecular weight of 3-(2-Phenylethenesulfonamido)benzoic acid is 303.06 g/mol.
Where can I buy 3-(2-Phenylethenesulfonamido)benzoic acid?
You can request a quote for 3-(2-Phenylethenesulfonamido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Phenylethenesulfonamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Phenylethenesulfonamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.