4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl-
TL;DR: 4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl- (CAS 3919-76-4) is a chemical compound with molecular formula C11H7Cl2NO3 and molecular weight 270.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
Also Known As: 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid, PPS-OH, Dicloxacillin Impurity D, 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid, Dicloxacillin EP Impurity D
| Molecular Formula | C11H7Cl2NO3 |
|---|---|
| Molecular Weight | 270.98 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.9803 |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 3919-76-4 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)O |
| InChIKey | WQXUUMUOERZZAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl- (CAS 3919-76-4), with molecular formula C11H7Cl2NO3 and molecular weight 270.98 g/mol. IUPAC: 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid.
Chemical Property Profile of 4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl-
Property Insights of 4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl-
The XLogP value of 3.2 indicates that 4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl-. Following Lipinski's Rule of Five, 4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-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-(2,6-dichlorophenyl)-5-methyl-?
The CAS number of 4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl- is 3919-76-4.
What is the molecular formula of 4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl-?
The molecular formula of 4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl- is C11H7Cl2NO3.
What is the molecular weight of 4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl-?
The molecular weight of 4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl- is 270.98 g/mol.
Where can I buy 4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl-?
You can request a quote for 4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-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-(2,6-dichlorophenyl)-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.