Ethyl 4-(4-nitrobenzoyl)-3-isoxazolecarboxylate
TL;DR: Ethyl 4-(4-nitrobenzoyl)-3-isoxazolecarboxylate (CAS 338420-68-1) is a chemical compound with molecular formula C13H10N2O6 and molecular weight 290.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-nitrobenzoyl)-1,2-oxazole-3-carboxylate
Also Known As: ethyl 4-(4-nitrobenzoyl)-3-isoxazolecarboxylate, ethyl 4-(4-nitrobenzoyl)-1,2-oxazole-3-carboxylate, 4G-958, ethyl4-(4-nitrobenzoyl)isoxazole-3-carboxylate
| Molecular Formula | C13H10N2O6 |
|---|---|
| Molecular Weight | 290.05 g/mol |
| LogP | 1.9905 |
| Topological Polar Surface Area | 112.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.0539 |
| Heavy Atoms | 21 |
| Complexity | 688.94196 |
Chemical Identifiers
| CAS Number | 338420-68-1 |
|---|---|
| SMILES | CCOC(=O)C1=NOC=C1C(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Ethyl 4-(4-nitrobenzoyl)-3-isoxazolecarboxylate (CAS 338420-68-1), with molecular formula C13H10N2O6 and molecular weight 290.05 g/mol. IUPAC: ethyl 4-(4-nitrobenzoyl)-1,2-oxazole-3-carboxylate.
Chemical Property Profile of Ethyl 4-(4-nitrobenzoyl)-3-isoxazolecarboxylate
Property Insights of Ethyl 4-(4-nitrobenzoyl)-3-isoxazolecarboxylate
The XLogP value of 1.9905 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(4-nitrobenzoyl)-3-isoxazolecarboxylate. The TPSA of 112.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(4-nitrobenzoyl)-3-isoxazolecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-(4-nitrobenzoyl)-3-isoxazolecarboxylate has 0 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 4-(4-nitrobenzoyl)-3-isoxazolecarboxylate?
The CAS number of Ethyl 4-(4-nitrobenzoyl)-3-isoxazolecarboxylate is 338420-68-1.
What is the molecular formula of Ethyl 4-(4-nitrobenzoyl)-3-isoxazolecarboxylate?
The molecular formula of Ethyl 4-(4-nitrobenzoyl)-3-isoxazolecarboxylate is C13H10N2O6.
What is the molecular weight of Ethyl 4-(4-nitrobenzoyl)-3-isoxazolecarboxylate?
The molecular weight of Ethyl 4-(4-nitrobenzoyl)-3-isoxazolecarboxylate is 290.05 g/mol.
Where can I buy Ethyl 4-(4-nitrobenzoyl)-3-isoxazolecarboxylate?
You can request a quote for Ethyl 4-(4-nitrobenzoyl)-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 4-(4-nitrobenzoyl)-3-isoxazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-nitrobenzoyl)-3-isoxazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.