4-Isoxazolecarboxylic acid, 3-(5-nitro-2-furyl)-, ethyl ester
TL;DR: 4-Isoxazolecarboxylic acid, 3-(5-nitro-2-furyl)-, ethyl ester (CAS 21787-30-4) is a chemical compound with molecular formula C10H8N2O6 and molecular weight 252.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate
Also Known As: 4-ISOXAZOLECARBOXYLIC ACID, 3-(5-NITRO-2-FURYL)-, ETHYL ESTER, ethyl 3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate, ethyl 3-(5-nitrofuran-2-yl)isoxazole-4-carboxylate, 3-(5-Nitro-2-furyl)-4-isoxazolecarboxylic acid ethyl ester, BRN 0548586
| Molecular Formula | C10H8N2O6 |
|---|---|
| Molecular Weight | 252.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.03824 |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 21787-30-4 |
|---|---|
| SMILES | CCOC(=O)C1=CON=C1C2=CC=C(O2)[N+](=O)[O-] |
| InChIKey | WVCZVYZVQJYYBH-UHFFFAOYSA-N |
Product Overview
4-Isoxazolecarboxylic acid, 3-(5-nitro-2-furyl)-, ethyl ester (CAS 21787-30-4), with molecular formula C10H8N2O6 and molecular weight 252.04 g/mol. IUPAC: ethyl 3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate.
Chemical Property Profile of 4-Isoxazolecarboxylic acid, 3-(5-nitro-2-furyl)-, ethyl ester
Property Insights of 4-Isoxazolecarboxylic acid, 3-(5-nitro-2-furyl)-, ethyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isoxazolecarboxylic acid, 3-(5-nitro-2-furyl)-, ethyl ester. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isoxazolecarboxylic acid, 3-(5-nitro-2-furyl)-, ethyl ester. Following Lipinski's Rule of Five, 4-Isoxazolecarboxylic acid, 3-(5-nitro-2-furyl)-, ethyl ester 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 4-Isoxazolecarboxylic acid, 3-(5-nitro-2-furyl)-, ethyl ester?
The CAS number of 4-Isoxazolecarboxylic acid, 3-(5-nitro-2-furyl)-, ethyl ester is 21787-30-4.
What is the molecular formula of 4-Isoxazolecarboxylic acid, 3-(5-nitro-2-furyl)-, ethyl ester?
The molecular formula of 4-Isoxazolecarboxylic acid, 3-(5-nitro-2-furyl)-, ethyl ester is C10H8N2O6.
What is the molecular weight of 4-Isoxazolecarboxylic acid, 3-(5-nitro-2-furyl)-, ethyl ester?
The molecular weight of 4-Isoxazolecarboxylic acid, 3-(5-nitro-2-furyl)-, ethyl ester is 252.04 g/mol.
Where can I buy 4-Isoxazolecarboxylic acid, 3-(5-nitro-2-furyl)-, ethyl ester?
You can request a quote for 4-Isoxazolecarboxylic acid, 3-(5-nitro-2-furyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isoxazolecarboxylic acid, 3-(5-nitro-2-furyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Isoxazolecarboxylic acid, 3-(5-nitro-2-furyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.