3-(2,6-Dichlorophenyl)-5-ethylisoxazole-4-carboxylic acid
TL;DR: 3-(2,6-Dichlorophenyl)-5-ethylisoxazole-4-carboxylic acid (CAS 286435-86-7) is a chemical compound with molecular formula C12H9Cl2NO3 and molecular weight 285.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6-dichlorophenyl)-5-ethyl-1,2-oxazole-4-carboxylic acid
Also Known As: Maybridge1_005840, 3-(2,6-dichlorophenyl)-5-ethylisoxazole-4-carboxylic acid, 3-(2,6-dichlorophenyl)-5-ethyl-1,2-oxazole-4-carboxylic acid, 4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-ethyl-, 3-(2,6-DICHLOROPHENYL)-5-ETHYLISOXAZOLE-4-CARBOXYLICACID
| Molecular Formula | C12H9Cl2NO3 |
|---|---|
| Molecular Weight | 285.00 g/mol |
| LogP | 3.909 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.99594 |
| Heavy Atoms | 18 |
| Complexity | 587.1152 |
Chemical Identifiers
| CAS Number | 286435-86-7 |
|---|---|
| SMILES | CCC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)O |
Product Overview
3-(2,6-Dichlorophenyl)-5-ethylisoxazole-4-carboxylic acid (CAS 286435-86-7), with molecular formula C12H9Cl2NO3 and molecular weight 285.00 g/mol. IUPAC: 3-(2,6-dichlorophenyl)-5-ethyl-1,2-oxazole-4-carboxylic acid.
Chemical Property Profile of 3-(2,6-Dichlorophenyl)-5-ethylisoxazole-4-carboxylic acid
Property Insights of 3-(2,6-Dichlorophenyl)-5-ethylisoxazole-4-carboxylic acid
The XLogP value of 3.909 indicates that 3-(2,6-Dichlorophenyl)-5-ethylisoxazole-4-carboxylic 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-(2,6-Dichlorophenyl)-5-ethylisoxazole-4-carboxylic acid. Following Lipinski's Rule of Five, 3-(2,6-Dichlorophenyl)-5-ethylisoxazole-4-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 3-(2,6-Dichlorophenyl)-5-ethylisoxazole-4-carboxylic acid?
The CAS number of 3-(2,6-Dichlorophenyl)-5-ethylisoxazole-4-carboxylic acid is 286435-86-7.
What is the molecular formula of 3-(2,6-Dichlorophenyl)-5-ethylisoxazole-4-carboxylic acid?
The molecular formula of 3-(2,6-Dichlorophenyl)-5-ethylisoxazole-4-carboxylic acid is C12H9Cl2NO3.
What is the molecular weight of 3-(2,6-Dichlorophenyl)-5-ethylisoxazole-4-carboxylic acid?
The molecular weight of 3-(2,6-Dichlorophenyl)-5-ethylisoxazole-4-carboxylic acid is 285.00 g/mol.
Where can I buy 3-(2,6-Dichlorophenyl)-5-ethylisoxazole-4-carboxylic acid?
You can request a quote for 3-(2,6-Dichlorophenyl)-5-ethylisoxazole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,6-Dichlorophenyl)-5-ethylisoxazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,6-Dichlorophenyl)-5-ethylisoxazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.