Ethyl 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate
TL;DR: Ethyl 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate (CAS 24248-21-3) is a chemical compound with molecular formula C13H11Cl2NO3 and molecular weight 299.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
Also Known As: Maybridge4_000312, Ethyl 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate, ethyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate, ETHYL 3-(2,6-DICHLORO-PHENYL)-5-METHYL-ISOXAZOLE-4-CARBOXYLATE, 3-(2,6-DICHLORO-PHENYL)-5-METHYL-ISOXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
| Molecular Formula | C13H11Cl2NO3 |
|---|---|
| Molecular Weight | 299.01 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.0116 |
| Heavy Atoms | 19 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 24248-21-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(ON=C1C2=C(C=CC=C2Cl)Cl)C |
| InChIKey | FKLYNWKQFIKJCQ-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate (CAS 24248-21-3), with molecular formula C13H11Cl2NO3 and molecular weight 299.01 g/mol. IUPAC: ethyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.
Chemical Property Profile of Ethyl 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate
Property Insights of Ethyl 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate
The XLogP value of 3.9 indicates that Ethyl 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, Ethyl 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate has 0 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 Ethyl 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate?
The CAS number of Ethyl 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate is 24248-21-3.
What is the molecular formula of Ethyl 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate?
The molecular formula of Ethyl 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate is C13H11Cl2NO3.
What is the molecular weight of Ethyl 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate?
The molecular weight of Ethyl 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate is 299.01 g/mol.
Where can I buy Ethyl 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate?
You can request a quote for Ethyl 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.