![ethyl 5-[({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)methyl]-4,5-dihydro-3-isoxazolecarboxylate structure](/static/products/3214/321432-32-0.webp)
ethyl 5-[({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)methyl]-4,5-dihydro-3-isoxazolecarboxylate
TL;DR: ethyl 5-[({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)methyl]-4,5-dihydro-3-isoxazolecarboxylate (CAS 321432-32-0) is a chemical compound with molecular formula C18H18ClN3O5 and molecular weight 391.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
Also Known As: ethyl 5-[({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)methyl]-4,5-dihydro-3-isoxazolecarboxylate, ethyl 5-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}methyl)-4,5-dihydro-1,2-oxazole-3-carboxylate, ethyl 5-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate, Ethyl 5-({3-(2-chlorophenyl)-5-methyl-4-isoxazolylcarbonyl}amino)methyl-4,5-dihydro-3-isoxazolecarboxylate, ethyl 5-[[[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino]methyl]-4,5-dihydroisoxazole-3-carboxylate
| Molecular Formula | C18H18ClN3O5 |
|---|---|
| Molecular Weight | 391.09 g/mol |
| LogP | 2.74122 |
| Topological Polar Surface Area | 103.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.0935 |
| Heavy Atoms | 27 |
| Complexity | 892.8723 |
Chemical Identifiers
| CAS Number | 321432-32-0 |
|---|---|
| SMILES | CCOC(=O)C1=NOC(C1)CNC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C |
Product Overview
ethyl 5-[({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)methyl]-4,5-dihydro-3-isoxazolecarboxylate (CAS 321432-32-0), with molecular formula C18H18ClN3O5 and molecular weight 391.09 g/mol. IUPAC: ethyl 5-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate.
Chemical Property Profile of ethyl 5-[({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)methyl]-4,5-dihydro-3-isoxazolecarboxylate
Property Insights of ethyl 5-[({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)methyl]-4,5-dihydro-3-isoxazolecarboxylate
The XLogP value of 2.74122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-[({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)methyl]-4,5-dihydro-3-isoxazolecarboxylate. The TPSA of 103.02 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-[({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)methyl]-4,5-dihydro-3-isoxazolecarboxylate. Following Lipinski's Rule of Five, ethyl 5-[({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)methyl]-4,5-dihydro-3-isoxazolecarboxylate has 1 hydrogen bond donor(s) and 7 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 5-[({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)methyl]-4,5-dihydro-3-isoxazolecarboxylate?
The CAS number of ethyl 5-[({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)methyl]-4,5-dihydro-3-isoxazolecarboxylate is 321432-32-0.
What is the molecular formula of ethyl 5-[({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)methyl]-4,5-dihydro-3-isoxazolecarboxylate?
The molecular formula of ethyl 5-[({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)methyl]-4,5-dihydro-3-isoxazolecarboxylate is C18H18ClN3O5.
What is the molecular weight of ethyl 5-[({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)methyl]-4,5-dihydro-3-isoxazolecarboxylate?
The molecular weight of ethyl 5-[({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)methyl]-4,5-dihydro-3-isoxazolecarboxylate is 391.09 g/mol.
Where can I buy ethyl 5-[({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)methyl]-4,5-dihydro-3-isoxazolecarboxylate?
You can request a quote for ethyl 5-[({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)methyl]-4,5-dihydro-3-isoxazolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-[({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)methyl]-4,5-dihydro-3-isoxazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-[({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)methyl]-4,5-dihydro-3-isoxazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.