(E)-2-(5-(2-carboxyvinyl)-2-methylphenylsulfonamido)benzoic acid
TL;DR: (E)-2-(5-(2-carboxyvinyl)-2-methylphenylsulfonamido)benzoic acid (CAS 327093-87-8) is a chemical compound with molecular formula C17H15NO6S and molecular weight 361.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(E)-2-carboxyethenyl]-2-methylphenyl]sulfonylamino]benzoic acid
Also Known As: (E)-2-(5-(2-carboxyvinyl)-2-methylphenylsulfonamido)benzoic acid, 2-{5-[(1E)-2-CARBOXYETH-1-EN-1-YL]-2-METHYLBENZENESULFONAMIDO}BENZOIC ACID, 2-[[5-[(E)-2-carboxyethenyl]-2-methylphenyl]sulfonylamino]benzoic acid, 2-({[5-(2-carboxyvinyl)-2-methylphenyl]sulfonyl}amino)benzoic acid, 2-({[5-((1E)-2-carboxyvinyl)-2-methylphenyl]sulfonyl}amino)benzoic acid
| Molecular Formula | C17H15NO6S |
|---|---|
| Molecular Weight | 361.06 g/mol |
| LogP | 2.59182 |
| Topological Polar Surface Area | 120.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.062 |
| Heavy Atoms | 25 |
| Complexity | 962.8534 |
Chemical Identifiers
| CAS Number | 327093-87-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)NC2=CC=CC=C2C(=O)O |
Product Overview
(E)-2-(5-(2-carboxyvinyl)-2-methylphenylsulfonamido)benzoic acid (CAS 327093-87-8), with molecular formula C17H15NO6S and molecular weight 361.06 g/mol. IUPAC: 2-[[5-[(E)-2-carboxyethenyl]-2-methylphenyl]sulfonylamino]benzoic acid.
Chemical Property Profile of (E)-2-(5-(2-carboxyvinyl)-2-methylphenylsulfonamido)benzoic acid
Property Insights of (E)-2-(5-(2-carboxyvinyl)-2-methylphenylsulfonamido)benzoic acid
The XLogP value of 2.59182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(5-(2-carboxyvinyl)-2-methylphenylsulfonamido)benzoic acid. The TPSA of 120.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(5-(2-carboxyvinyl)-2-methylphenylsulfonamido)benzoic acid. Following Lipinski's Rule of Five, (E)-2-(5-(2-carboxyvinyl)-2-methylphenylsulfonamido)benzoic acid has 3 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 (E)-2-(5-(2-carboxyvinyl)-2-methylphenylsulfonamido)benzoic acid?
The CAS number of (E)-2-(5-(2-carboxyvinyl)-2-methylphenylsulfonamido)benzoic acid is 327093-87-8.
What is the molecular formula of (E)-2-(5-(2-carboxyvinyl)-2-methylphenylsulfonamido)benzoic acid?
The molecular formula of (E)-2-(5-(2-carboxyvinyl)-2-methylphenylsulfonamido)benzoic acid is C17H15NO6S.
What is the molecular weight of (E)-2-(5-(2-carboxyvinyl)-2-methylphenylsulfonamido)benzoic acid?
The molecular weight of (E)-2-(5-(2-carboxyvinyl)-2-methylphenylsulfonamido)benzoic acid is 361.06 g/mol.
Where can I buy (E)-2-(5-(2-carboxyvinyl)-2-methylphenylsulfonamido)benzoic acid?
You can request a quote for (E)-2-(5-(2-carboxyvinyl)-2-methylphenylsulfonamido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(5-(2-carboxyvinyl)-2-methylphenylsulfonamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(5-(2-carboxyvinyl)-2-methylphenylsulfonamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.