![Ethyl 5-{[(2-chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylate structure](/static/products/3391/339100-99-1.webp)
Ethyl 5-{[(2-chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylate
TL;DR: Ethyl 5-{[(2-chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylate (CAS 339100-99-1) is a chemical compound with molecular formula C14H15ClN2O4 and molecular weight 310.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[[(2-chlorobenzoyl)amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
Also Known As: ethyl 5-{[(2-chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylate, ethyl 5-{[(2-chlorophenyl)formamido]methyl}-4,5-dihydro-1,2-oxazole-3-carboxylate, Ethyl 5-{[(2-chlorobenzoyl)amino]methyl}-4,5- dihydro-3-isoxazolecarboxylate, ethyl 5-[[(2-chlorobenzoyl)amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate, ethyl 5-[[(2-chlorobenzoyl)amino]methyl]-4,5-dihydroisoxazole-3-carboxylate
| Molecular Formula | C14H15ClN2O4 |
|---|---|
| Molecular Weight | 310.07 g/mol |
| LogP | 1.7778 |
| Topological Polar Surface Area | 76.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.07202 |
| Heavy Atoms | 21 |
| Complexity | 573.84735 |
Chemical Identifiers
| CAS Number | 339100-99-1 |
|---|---|
| SMILES | CCOC(=O)C1=NOC(C1)CNC(=O)C2=CC=CC=C2Cl |
Product Overview
Ethyl 5-{[(2-chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylate (CAS 339100-99-1), with molecular formula C14H15ClN2O4 and molecular weight 310.07 g/mol. IUPAC: ethyl 5-[[(2-chlorobenzoyl)amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate.
Chemical Property Profile of Ethyl 5-{[(2-chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylate
Property Insights of Ethyl 5-{[(2-chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylate
The XLogP value of 1.7778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-{[(2-chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylate. The TPSA of 76.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-{[(2-chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylate. Following Lipinski's Rule of Five, Ethyl 5-{[(2-chlorobenzoyl)amino]methyl}-4,5-dihydro-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
Frequently Asked Questions
What is the CAS number of Ethyl 5-{[(2-chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylate?
The CAS number of Ethyl 5-{[(2-chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylate is 339100-99-1.
What is the molecular formula of Ethyl 5-{[(2-chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylate?
The molecular formula of Ethyl 5-{[(2-chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylate is C14H15ClN2O4.
What is the molecular weight of Ethyl 5-{[(2-chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylate?
The molecular weight of Ethyl 5-{[(2-chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylate is 310.07 g/mol.
Where can I buy Ethyl 5-{[(2-chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylate?
You can request a quote for Ethyl 5-{[(2-chlorobenzoyl)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-{[(2-chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-{[(2-chlorobenzoyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.