4-((3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)benzoic acid
TL;DR: 4-((3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)benzoic acid (CAS 890959-61-2) is a chemical compound with molecular formula C19H15ClN2O4 and molecular weight 370.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]benzoic acid
Also Known As: 4-((3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)benzoic acid, 4-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]benzoic Acid, 4-[({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)methyl]benzoic acid
| Molecular Formula | C19H15ClN2O4 |
|---|---|
| Molecular Weight | 370.07 g/mol |
| LogP | 3.93162 |
| Topological Polar Surface Area | 92.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.07202 |
| Heavy Atoms | 26 |
| Complexity | 963.9254 |
Chemical Identifiers
| CAS Number | 890959-61-2 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3=CC=C(C=C3)C(=O)O |
Product Overview
4-((3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)benzoic acid (CAS 890959-61-2), with molecular formula C19H15ClN2O4 and molecular weight 370.07 g/mol. IUPAC: 4-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]benzoic acid.
Chemical Property Profile of 4-((3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)benzoic acid
Property Insights of 4-((3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)benzoic acid
The XLogP value of 3.93162 indicates that 4-((3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)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 4-((3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)benzoic acid. Following Lipinski's Rule of Five, 4-((3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)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 4-((3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)benzoic acid?
The CAS number of 4-((3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)benzoic acid is 890959-61-2.
What is the molecular formula of 4-((3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)benzoic acid?
The molecular formula of 4-((3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)benzoic acid is C19H15ClN2O4.
What is the molecular weight of 4-((3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)benzoic acid?
The molecular weight of 4-((3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)benzoic acid is 370.07 g/mol.
Where can I buy 4-((3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)benzoic acid?
You can request a quote for 4-((3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)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-(2-Chlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.