4-Isoxazolecarboxylic acid, 5-(2-furyl)-3-(5-nitro-2-furyl)-, ethyl ester
TL;DR: 4-Isoxazolecarboxylic acid, 5-(2-furyl)-3-(5-nitro-2-furyl)-, ethyl ester (CAS 22996-54-9) is a chemical compound with molecular formula C14H10N2O7 and molecular weight 318.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(furan-2-yl)-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate
Also Known As: 4-ISOXAZOLECARBOXYLIC ACID, 5-(2-FURYL)-3-(5-NITRO-2-FURYL)-, ETHYL ESTER, 5-(2-Furyl)-3-(5-nitro-2-furyl)-4-isoxazolecarboxylic acid ethyl ester, ethyl 5-(furan-2-yl)-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate
| Molecular Formula | C14H10N2O7 |
|---|---|
| Molecular Weight | 318.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.0488 |
| Heavy Atoms | 23 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 22996-54-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(ON=C1C2=CC=C(O2)[N+](=O)[O-])C3=CC=CO3 |
| InChIKey | ATMPPAWYIKDYOM-UHFFFAOYSA-N |
Product Overview
4-Isoxazolecarboxylic acid, 5-(2-furyl)-3-(5-nitro-2-furyl)-, ethyl ester (CAS 22996-54-9), with molecular formula C14H10N2O7 and molecular weight 318.05 g/mol. IUPAC: ethyl 5-(furan-2-yl)-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate.
Chemical Property Profile of 4-Isoxazolecarboxylic acid, 5-(2-furyl)-3-(5-nitro-2-furyl)-, ethyl ester
Property Insights of 4-Isoxazolecarboxylic acid, 5-(2-furyl)-3-(5-nitro-2-furyl)-, ethyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isoxazolecarboxylic acid, 5-(2-furyl)-3-(5-nitro-2-furyl)-, ethyl ester. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isoxazolecarboxylic acid, 5-(2-furyl)-3-(5-nitro-2-furyl)-, ethyl ester. Following Lipinski's Rule of Five, 4-Isoxazolecarboxylic acid, 5-(2-furyl)-3-(5-nitro-2-furyl)-, ethyl ester has 0 hydrogen bond donor(s) and 8 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, 5-(2-furyl)-3-(5-nitro-2-furyl)-, ethyl ester?
The CAS number of 4-Isoxazolecarboxylic acid, 5-(2-furyl)-3-(5-nitro-2-furyl)-, ethyl ester is 22996-54-9.
What is the molecular formula of 4-Isoxazolecarboxylic acid, 5-(2-furyl)-3-(5-nitro-2-furyl)-, ethyl ester?
The molecular formula of 4-Isoxazolecarboxylic acid, 5-(2-furyl)-3-(5-nitro-2-furyl)-, ethyl ester is C14H10N2O7.
What is the molecular weight of 4-Isoxazolecarboxylic acid, 5-(2-furyl)-3-(5-nitro-2-furyl)-, ethyl ester?
The molecular weight of 4-Isoxazolecarboxylic acid, 5-(2-furyl)-3-(5-nitro-2-furyl)-, ethyl ester is 318.05 g/mol.
Where can I buy 4-Isoxazolecarboxylic acid, 5-(2-furyl)-3-(5-nitro-2-furyl)-, ethyl ester?
You can request a quote for 4-Isoxazolecarboxylic acid, 5-(2-furyl)-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, 5-(2-furyl)-3-(5-nitro-2-furyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Isoxazolecarboxylic acid, 5-(2-furyl)-3-(5-nitro-2-furyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.