![Ethyl 2-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate structure](/static/products/3016/301680-65-9.webp)
Ethyl 2-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate
TL;DR: Ethyl 2-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate (CAS 301680-65-9) is a chemical compound with molecular formula C20H17ClN2O4 and molecular weight 384.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate
Also Known As: BAS 00839914, ethyl 2-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate, ethyl 2-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)benzoate, ETHYL 2-[3-(2-CHLOROPHENYL)-5-METHYL-1,2-OXAZOLE-4-AMIDO]BENZOATE, ethyl 2-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)benzoate
| Molecular Formula | C20H17ClN2O4 |
|---|---|
| Molecular Weight | 384.09 g/mol |
| LogP | 4.73242 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.08768 |
| Heavy Atoms | 27 |
| Complexity | 997.15173 |
Chemical Identifiers
| CAS Number | 301680-65-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C |
Product Overview
Ethyl 2-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate (CAS 301680-65-9), with molecular formula C20H17ClN2O4 and molecular weight 384.09 g/mol. IUPAC: ethyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate.
Chemical Property Profile of Ethyl 2-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate
Property Insights of Ethyl 2-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate
The XLogP value of 4.73242 indicates that Ethyl 2-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate. Following Lipinski's Rule of Five, Ethyl 2-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate 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 Ethyl 2-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate?
The CAS number of Ethyl 2-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate is 301680-65-9.
What is the molecular formula of Ethyl 2-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate?
The molecular formula of Ethyl 2-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate is C20H17ClN2O4.
What is the molecular weight of Ethyl 2-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate?
The molecular weight of Ethyl 2-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate is 384.09 g/mol.
Where can I buy Ethyl 2-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate?
You can request a quote for Ethyl 2-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.