![2-[Allyl-(2-phenyl-ethenesulfonyl)-amino]-benzoic acid structure](/static/products/5767/5767-15-7.webp)
2-[Allyl-(2-phenyl-ethenesulfonyl)-amino]-benzoic acid
TL;DR: 2-[Allyl-(2-phenyl-ethenesulfonyl)-amino]-benzoic acid (CAS 5767-15-7) is a chemical compound with molecular formula C18H17NO4S and molecular weight 343.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-2-phenylethenyl]sulfonyl-prop-2-enylamino]benzoic acid
Also Known As: 2-[Allyl-(2-phenyl-ethenesulfonyl)-amino]-benzoic acid, BAS 01392449, BIM-0032256.P001, 2-[allyl-[(E)-styryl]sulfonyl-amino]benzoic acid, (E)-2-(N-allyl-2-phenylvinylsulfonamido)benzoic acid
| Molecular Formula | C18H17NO4S |
|---|---|
| Molecular Weight | 343.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 343.08783 |
| Heavy Atoms | 24 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 5767-15-7 |
|---|---|
| SMILES | C=CCN(C1=CC=CC=C1C(=O)O)S(=O)(=O)/C=C/C2=CC=CC=C2 |
| InChIKey | FVHRHJBBJASQDU-WYMLVPIESA-N |
Product Overview
2-[Allyl-(2-phenyl-ethenesulfonyl)-amino]-benzoic acid (CAS 5767-15-7), with molecular formula C18H17NO4S and molecular weight 343.09 g/mol. IUPAC: 2-[[(E)-2-phenylethenyl]sulfonyl-prop-2-enylamino]benzoic acid.
Chemical Property Profile of 2-[Allyl-(2-phenyl-ethenesulfonyl)-amino]-benzoic acid
Property Insights of 2-[Allyl-(2-phenyl-ethenesulfonyl)-amino]-benzoic acid
The XLogP value of 3.2 indicates that 2-[Allyl-(2-phenyl-ethenesulfonyl)-amino]-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-[Allyl-(2-phenyl-ethenesulfonyl)-amino]-benzoic acid. Following Lipinski's Rule of Five, 2-[Allyl-(2-phenyl-ethenesulfonyl)-amino]-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-[Allyl-(2-phenyl-ethenesulfonyl)-amino]-benzoic acid?
The CAS number of 2-[Allyl-(2-phenyl-ethenesulfonyl)-amino]-benzoic acid is 5767-15-7.
What is the molecular formula of 2-[Allyl-(2-phenyl-ethenesulfonyl)-amino]-benzoic acid?
The molecular formula of 2-[Allyl-(2-phenyl-ethenesulfonyl)-amino]-benzoic acid is C18H17NO4S.
What is the molecular weight of 2-[Allyl-(2-phenyl-ethenesulfonyl)-amino]-benzoic acid?
The molecular weight of 2-[Allyl-(2-phenyl-ethenesulfonyl)-amino]-benzoic acid is 343.09 g/mol.
Where can I buy 2-[Allyl-(2-phenyl-ethenesulfonyl)-amino]-benzoic acid?
You can request a quote for 2-[Allyl-(2-phenyl-ethenesulfonyl)-amino]-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-[Allyl-(2-phenyl-ethenesulfonyl)-amino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[Allyl-(2-phenyl-ethenesulfonyl)-amino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.