![Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate structure](/static/products/1348/134889-04-6.webp)
Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate
TL;DR: Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate (CAS 134889-04-6) is a chemical compound with molecular formula C14H13ClN2O4 and molecular weight 308.0564 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[(4-chlorophenyl)carbamoyl]-5-methyl-1,2-oxazole-3-carboxylate
Also Known As: ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate, ethyl 4-[(4-chlorophenyl)carbamoyl]-5-methyl-1,2-oxazole-3-carboxylate, 3890AD, Ethyl 4-((4-chlorophenyl)carbamoyl)-5-methylisoxazole-3-carboxylate, 5G-913
Technical Specifications
| Molecular Formula | C14H13ClN2O4 |
| Molecular Weight | 308.0564 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.0564 Da |
| Heavy Atoms | 21 |
| Complexity | 385.0 |
| SMILES | CCOC(=O)C1=NOC(=C1C(=O)NC2=CC=C(C=C2)Cl)C |
| InChIKey | WMOOOFRTGANMKG-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate
Property Insights of Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate 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
What is the CAS number of Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate?
The CAS number of Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate is 134889-04-6.
What is the molecular formula of Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate?
The molecular formula of Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate is C14H13ClN2O4.
What is the molecular weight of Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate?
The molecular weight of Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate is 308.0564 g/mol.
Where can I buy Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate?
You can request a quote for Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-[(4-chloroanilino)carbonyl]-5-methyl-3-isoxazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.