![4-{[(3,5-Dimethylisoxazol-4-yl)sulfonyl]amino}benzoic acid structure](/static/products/888/888949-48-2.png)
4-{[(3,5-Dimethylisoxazol-4-yl)sulfonyl]amino}benzoic acid
TL;DR: 4-{[(3,5-Dimethylisoxazol-4-yl)sulfonyl]amino}benzoic acid (CAS 888949-48-2) is a chemical compound with molecular formula C12H12N2O5S and molecular weight 296.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoic acid
Also Known As: 4-{[(3,5-dimethylisoxazol-4-yl)sulfonyl]amino}benzoic acid, 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoic acid, 4-(3,5-dimethylisoxazole-4-sulfonamido)benzoic acid, 4-{[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]amino}benzoic acid
| Molecular Formula | C12H12N2O5S |
|---|---|
| Molecular Weight | 296.05 g/mol |
| LogP | 1.79044 |
| Topological Polar Surface Area | 109.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.0467 |
| Heavy Atoms | 20 |
| Complexity | 727.1549 |
Chemical Identifiers
| CAS Number | 888949-48-2 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O |
Product Overview
4-{[(3,5-Dimethylisoxazol-4-yl)sulfonyl]amino}benzoic acid (CAS 888949-48-2), with molecular formula C12H12N2O5S and molecular weight 296.05 g/mol. IUPAC: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoic acid.
Chemical Property Profile of 4-{[(3,5-Dimethylisoxazol-4-yl)sulfonyl]amino}benzoic acid
Property Insights of 4-{[(3,5-Dimethylisoxazol-4-yl)sulfonyl]amino}benzoic acid
The XLogP value of 1.79044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(3,5-Dimethylisoxazol-4-yl)sulfonyl]amino}benzoic acid. The TPSA of 109.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(3,5-Dimethylisoxazol-4-yl)sulfonyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[(3,5-Dimethylisoxazol-4-yl)sulfonyl]amino}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 4-{[(3,5-Dimethylisoxazol-4-yl)sulfonyl]amino}benzoic acid?
The CAS number of 4-{[(3,5-Dimethylisoxazol-4-yl)sulfonyl]amino}benzoic acid is 888949-48-2.
What is the molecular formula of 4-{[(3,5-Dimethylisoxazol-4-yl)sulfonyl]amino}benzoic acid?
The molecular formula of 4-{[(3,5-Dimethylisoxazol-4-yl)sulfonyl]amino}benzoic acid is C12H12N2O5S.
What is the molecular weight of 4-{[(3,5-Dimethylisoxazol-4-yl)sulfonyl]amino}benzoic acid?
The molecular weight of 4-{[(3,5-Dimethylisoxazol-4-yl)sulfonyl]amino}benzoic acid is 296.05 g/mol.
Where can I buy 4-{[(3,5-Dimethylisoxazol-4-yl)sulfonyl]amino}benzoic acid?
You can request a quote for 4-{[(3,5-Dimethylisoxazol-4-yl)sulfonyl]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 4-{[(3,5-Dimethylisoxazol-4-yl)sulfonyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(3,5-Dimethylisoxazol-4-yl)sulfonyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.