![3-{[3-(2-Chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoic acid structure](/static/products/3016/301680-59-1.webp)
3-{[3-(2-Chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoic acid
TL;DR: 3-{[3-(2-Chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoic acid (CAS 301680-59-1) is a chemical compound with molecular formula C18H13ClN2O4 and molecular weight 356.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoic acid
Also Known As: BAS 00843114, BIM-0042420.P001, 3-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoic acid, AF-399/37112025, 3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoic acid
| Molecular Formula | C18H13ClN2O4 |
|---|---|
| Molecular Weight | 356.06 g/mol |
| LogP | 4.25392 |
| Topological Polar Surface Area | 92.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.0564 |
| Heavy Atoms | 25 |
| Complexity | 965.21484 |
Chemical Identifiers
| CAS Number | 301680-59-1 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=CC=CC(=C3)C(=O)O |
Product Overview
3-{[3-(2-Chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoic acid (CAS 301680-59-1), with molecular formula C18H13ClN2O4 and molecular weight 356.06 g/mol. IUPAC: 3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoic acid.
Chemical Property Profile of 3-{[3-(2-Chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoic acid
Property Insights of 3-{[3-(2-Chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoic acid
The XLogP value of 4.25392 indicates that 3-{[3-(2-Chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[3-(2-Chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoic acid. Following Lipinski's Rule of Five, 3-{[3-(2-Chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoic acid has 2 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 3-{[3-(2-Chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoic acid?
The CAS number of 3-{[3-(2-Chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoic acid is 301680-59-1.
What is the molecular formula of 3-{[3-(2-Chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoic acid?
The molecular formula of 3-{[3-(2-Chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoic acid is C18H13ClN2O4.
What is the molecular weight of 3-{[3-(2-Chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoic acid?
The molecular weight of 3-{[3-(2-Chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoic acid is 356.06 g/mol.
Where can I buy 3-{[3-(2-Chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoic acid?
You can request a quote for 3-{[3-(2-Chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[3-(2-Chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[3-(2-Chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.