4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-
TL;DR: 4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl- (CAS 23598-72-3) is a chemical compound with molecular formula C11H8ClNO3 and molecular weight 237.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
Also Known As: 3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxylic acid, cmic acid, Cloxacillin EP Impurity D, N-hexyl nicotinoate, 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
| Molecular Formula | C11H8ClNO3 |
|---|---|
| Molecular Weight | 237.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.01927 |
| Heavy Atoms | 16 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 23598-72-3 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)O |
| InChIKey | UVEPOHNXGXVOJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl- (CAS 23598-72-3), with molecular formula C11H8ClNO3 and molecular weight 237.02 g/mol. IUPAC: 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid.
Chemical Property Profile of 4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-
Property Insights of 4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-. Following Lipinski's Rule of Five, 4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl- has 1 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-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-?
The CAS number of 4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl- is 23598-72-3.
What is the molecular formula of 4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-?
The molecular formula of 4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl- is C11H8ClNO3.
What is the molecular weight of 4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-?
The molecular weight of 4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl- is 237.02 g/mol.
Where can I buy 4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-?
You can request a quote for 4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.