3-(4-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid
TL;DR: 3-(4-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid (CAS 74788-45-7) 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-(4-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
Also Known As: 3-(4-chlorophenyl)-5-methylisoxazole-4-carboxylic acid, GINSENOSIDERO, 3-(4-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid, 3-(4-Chloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid, SALOR-INT L481238-1EA
| Molecular Formula | C11H8ClNO3 |
|---|---|
| Molecular Weight | 237.02 g/mol |
| LogP | 3.00162 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.01927 |
| Heavy Atoms | 16 |
| Complexity | 530.6627 |
Chemical Identifiers
| CAS Number | 74788-45-7 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=C(C=C2)Cl)C(=O)O |
Product Overview
3-(4-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid (CAS 74788-45-7), with molecular formula C11H8ClNO3 and molecular weight 237.02 g/mol. IUPAC: 3-(4-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid.
Chemical Property Profile of 3-(4-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid
Property Insights of 3-(4-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid
The XLogP value of 3.00162 indicates that 3-(4-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid has 1 hydrogen bond donor(s) and 3 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-(4-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid?
The CAS number of 3-(4-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid is 74788-45-7.
What is the molecular formula of 3-(4-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid?
The molecular formula of 3-(4-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid is C11H8ClNO3.
What is the molecular weight of 3-(4-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid?
The molecular weight of 3-(4-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid is 237.02 g/mol.
Where can I buy 3-(4-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid?
You can request a quote for 3-(4-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.