5-(4-Chlorophenyl)isoxazole-3-carboxylic acid
TL;DR: 5-(4-Chlorophenyl)isoxazole-3-carboxylic acid (CAS 338982-11-9) is a chemical compound with molecular formula C10H6ClNO3 and molecular weight 223.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
Also Known As: 5-(4-Chlorophenyl)isoxazole-3-carboxylic acid, 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid, 5- isoxazole-3-carboxylicacid, 5-(4-Chloro-phenyl)-isoxazole-3-carboxylic acid, BAS 03395093
| Molecular Formula | C10H6ClNO3 |
|---|---|
| Molecular Weight | 223.00 g/mol |
| LogP | 2.6932 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.00362 |
| Heavy Atoms | 15 |
| Complexity | 489.62354 |
Chemical Identifiers
| CAS Number | 338982-11-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC(=NO2)C(=O)O)Cl |
Product Overview
5-(4-Chlorophenyl)isoxazole-3-carboxylic acid (CAS 338982-11-9), with molecular formula C10H6ClNO3 and molecular weight 223.00 g/mol. IUPAC: 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid.
Chemical Property Profile of 5-(4-Chlorophenyl)isoxazole-3-carboxylic acid
Property Insights of 5-(4-Chlorophenyl)isoxazole-3-carboxylic acid
The XLogP value of 2.6932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Chlorophenyl)isoxazole-3-carboxylic acid. The TPSA of 63.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Chlorophenyl)isoxazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-(4-Chlorophenyl)isoxazole-3-carboxylic 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 5-(4-Chlorophenyl)isoxazole-3-carboxylic acid?
The CAS number of 5-(4-Chlorophenyl)isoxazole-3-carboxylic acid is 338982-11-9.
What is the molecular formula of 5-(4-Chlorophenyl)isoxazole-3-carboxylic acid?
The molecular formula of 5-(4-Chlorophenyl)isoxazole-3-carboxylic acid is C10H6ClNO3.
What is the molecular weight of 5-(4-Chlorophenyl)isoxazole-3-carboxylic acid?
The molecular weight of 5-(4-Chlorophenyl)isoxazole-3-carboxylic acid is 223.00 g/mol.
Where can I buy 5-(4-Chlorophenyl)isoxazole-3-carboxylic acid?
You can request a quote for 5-(4-Chlorophenyl)isoxazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Chlorophenyl)isoxazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chlorophenyl)isoxazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.