![2-[(4-Methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid structure](/static/products/3240/324057-41-2.webp)
2-[(4-Methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid
TL;DR: 2-[(4-Methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid (CAS 324057-41-2) is a chemical compound with molecular formula C17H17NO4S and molecular weight 331.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid
Also Known As: BAS 00917565, BIM-0030728.P001, 2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid, 2-{[(4-methylphenyl)sulfonyl]prop-2-enylamino}benzoic acid, 2-(N-allyl-4-methylphenylsulfonamido)benzoic acid
| Molecular Formula | C17H17NO4S |
|---|---|
| Molecular Weight | 331.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.08783 |
| Heavy Atoms | 23 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 324057-41-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C2=CC=CC=C2C(=O)O |
| InChIKey | ZIULRGTVJLLHDC-UHFFFAOYSA-N |
Product Overview
2-[(4-Methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid (CAS 324057-41-2), with molecular formula C17H17NO4S and molecular weight 331.09 g/mol. IUPAC: 2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid.
Chemical Property Profile of 2-[(4-Methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid
Property Insights of 2-[(4-Methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid
The XLogP value of 3.2 indicates that 2-[(4-Methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid. Following Lipinski's Rule of Five, 2-[(4-Methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid has 1 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 2-[(4-Methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid?
The CAS number of 2-[(4-Methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid is 324057-41-2.
What is the molecular formula of 2-[(4-Methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid?
The molecular formula of 2-[(4-Methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid is C17H17NO4S.
What is the molecular weight of 2-[(4-Methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid?
The molecular weight of 2-[(4-Methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid is 331.09 g/mol.
Where can I buy 2-[(4-Methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid?
You can request a quote for 2-[(4-Methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.