![Ethyl 4-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)benzoate structure](/static/products/3318/331848-06-7.webp)
Ethyl 4-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)benzoate
TL;DR: Ethyl 4-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)benzoate (CAS 331848-06-7) is a chemical compound with molecular formula C20H16Cl2N2O4 and molecular weight 418.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate
Also Known As: Maybridge1_003676, BAS 00629116, ethyl 4-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)benzoate, ethyl 4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate, ethyl 4-(3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamido)benzoate
| Molecular Formula | C20H16Cl2N2O4 |
|---|---|
| Molecular Weight | 418.05 g/mol |
| LogP | 5.38582 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.0487 |
| Heavy Atoms | 28 |
| Complexity | 1008.935 |
Chemical Identifiers
| CAS Number | 331848-06-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C |
Product Overview
Ethyl 4-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)benzoate (CAS 331848-06-7), with molecular formula C20H16Cl2N2O4 and molecular weight 418.05 g/mol. IUPAC: ethyl 4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)benzoate
Property Insights of Ethyl 4-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)benzoate
The XLogP value of 5.38582 indicates that Ethyl 4-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)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 4-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)benzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)benzoate?
The CAS number of Ethyl 4-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)benzoate is 331848-06-7.
What is the molecular formula of Ethyl 4-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)benzoate?
The molecular formula of Ethyl 4-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)benzoate is C20H16Cl2N2O4.
What is the molecular weight of Ethyl 4-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)benzoate?
The molecular weight of Ethyl 4-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)benzoate is 418.05 g/mol.
Where can I buy Ethyl 4-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)benzoate?
You can request a quote for Ethyl 4-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.