4-anilino-3- sulfonyl-5- benzoicacid
TL;DR: 4-anilino-3- sulfonyl-5- benzoicacid (CAS 76557-39-6) is a chemical compound with molecular formula C24H23N3O4S2 and molecular weight 481.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-3-(2,5-dimethylpyrrol-1-yl)sulfonyl-5-(thiophen-3-ylmethylamino)benzoic acid
Also Known As: 4-anilino-3- sulfonyl-5- benzoicacid, Benzoic acid, 3-((2,5-dimethyl-1H-pyrrol-1-yl)sulfonyl)-4-(phenylamino)-5-((3-thienylmethyl)amino)-, 4-anilino-3-(2,5-dimethylpyrrol-1-yl)sulfonyl-5-(thiophen-3-ylmethylamino)benzoic Acid, 4-Anilino-3-(2,5-dimethyl-1H-pyrrole-1-sulfonyl)-5-{[(thiophen-3-yl)methyl]amino}benzoic acid, Benzoic acid,3-[(2,5-dimethyl-1H-pyrrol-1-yl)sulfonyl]-4-(phenylamino)-5-[(3-thienylmethyl)amino]-
| Molecular Formula | C24H23N3O4S2 |
|---|---|
| Molecular Weight | 481.11 g/mol |
| LogP | 5.45734 |
| Topological Polar Surface Area | 100.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 481.113 |
| Heavy Atoms | 33 |
| Complexity | 1373.7494 |
Chemical Identifiers
| CAS Number | 76557-39-6 |
|---|---|
| SMILES | CC1=CC=C(N1S(=O)(=O)C2=CC(=CC(=C2NC3=CC=CC=C3)NCC4=CSC=C4)C(=O)O)C |
Product Overview
4-anilino-3- sulfonyl-5- benzoicacid (CAS 76557-39-6), with molecular formula C24H23N3O4S2 and molecular weight 481.11 g/mol. IUPAC: 4-anilino-3-(2,5-dimethylpyrrol-1-yl)sulfonyl-5-(thiophen-3-ylmethylamino)benzoic acid.
Chemical Property Profile of 4-anilino-3- sulfonyl-5- benzoicacid
Property Insights of 4-anilino-3- sulfonyl-5- benzoicacid
The XLogP value of 5.45734 indicates that 4-anilino-3- sulfonyl-5- benzoicacid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-anilino-3- sulfonyl-5- benzoicacid. Following Lipinski's Rule of Five, 4-anilino-3- sulfonyl-5- benzoicacid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-anilino-3- sulfonyl-5- benzoicacid?
The CAS number of 4-anilino-3- sulfonyl-5- benzoicacid is 76557-39-6.
What is the molecular formula of 4-anilino-3- sulfonyl-5- benzoicacid?
The molecular formula of 4-anilino-3- sulfonyl-5- benzoicacid is C24H23N3O4S2.
What is the molecular weight of 4-anilino-3- sulfonyl-5- benzoicacid?
The molecular weight of 4-anilino-3- sulfonyl-5- benzoicacid is 481.11 g/mol.
Where can I buy 4-anilino-3- sulfonyl-5- benzoicacid?
You can request a quote for 4-anilino-3- sulfonyl-5- benzoicacid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-anilino-3- sulfonyl-5- benzoicacid?
Yes, KEHONG BIO provides custom synthesis services for 4-anilino-3- sulfonyl-5- benzoicacid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.