3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid
TL;DR: 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid (CAS 3919-74-2) is a chemical compound with molecular formula C11H7ClFNO3 and molecular weight 255.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
Also Known As: 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid, Fcimic acid, Flucloxacillin impurity D, Flucloxacillin EP Impurity D, Flucloxacillin impurity D CRS
| Molecular Formula | C11H7ClFNO3 |
|---|---|
| Molecular Weight | 255.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.00984 |
| Heavy Atoms | 17 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 3919-74-2 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)O |
| InChIKey | REIPZLFZMOQHJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid (CAS 3919-74-2), with molecular formula C11H7ClFNO3 and molecular weight 255.01 g/mol. IUPAC: 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid.
Chemical Property Profile of 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid
Property Insights of 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid. Following Lipinski's Rule of Five, 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid has 1 hydrogen bond donor(s) and 5 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-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid?
The CAS number of 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid is 3919-74-2.
What is the molecular formula of 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid?
The molecular formula of 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid is C11H7ClFNO3.
What is the molecular weight of 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid?
The molecular weight of 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid is 255.01 g/mol.
Where can I buy 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid?
You can request a quote for 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-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-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.