Ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)acetate
TL;DR: Ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)acetate (CAS 218456-07-6) is a chemical compound with molecular formula C15H14Cl2N2O4 and molecular weight 356.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate
Also Known As: Maybridge1_000937, BAS 00629126, ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)acetate, 1M-034, ethyl 2-{[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}acetate
| Molecular Formula | C15H14Cl2N2O4 |
|---|---|
| Molecular Weight | 356.03 g/mol |
| LogP | 3.24972 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.03305 |
| Heavy Atoms | 23 |
| Complexity | 722.82324 |
Chemical Identifiers
| CAS Number | 218456-07-6 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)C1=C(ON=C1C2=C(C=CC=C2Cl)Cl)C |
Product Overview
Ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)acetate (CAS 218456-07-6), with molecular formula C15H14Cl2N2O4 and molecular weight 356.03 g/mol. IUPAC: ethyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]acetate.
Chemical Property Profile of Ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)acetate
Property Insights of Ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)acetate
The XLogP value of 3.24972 indicates that Ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)acetate 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-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)acetate. Following Lipinski's Rule of Five, Ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)acetate 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-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)acetate?
The CAS number of Ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)acetate is 218456-07-6.
What is the molecular formula of Ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)acetate?
The molecular formula of Ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)acetate is C15H14Cl2N2O4.
What is the molecular weight of Ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)acetate?
The molecular weight of Ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)acetate is 356.03 g/mol.
Where can I buy Ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)acetate?
You can request a quote for Ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)acetate 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-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.