4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, propyl ester
TL;DR: 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, propyl ester (CAS 22996-58-3) is a chemical compound with molecular formula C12H12N2O6 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate
Also Known As: 4-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-3-(5-NITRO-2-FURYL)-, PROPYL ESTER, 5-Methyl-3-(5-nitro-2-furyl)-4-isoxazolecarboxylic acid propyl ester, propyl 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate
| Molecular Formula | C12H12N2O6 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.06955 |
| Heavy Atoms | 20 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 22996-58-3 |
|---|---|
| SMILES | CCCOC(=O)C1=C(ON=C1C2=CC=C(O2)[N+](=O)[O-])C |
| InChIKey | FJHCCARQEHMFQI-UHFFFAOYSA-N |
Product Overview
4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, propyl ester (CAS 22996-58-3), with molecular formula C12H12N2O6 and molecular weight 280.07 g/mol. IUPAC: propyl 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate.
Chemical Property Profile of 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, propyl ester
Property Insights of 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, propyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, propyl ester. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, propyl ester. Following Lipinski's Rule of Five, 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, propyl 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, 5-methyl-3-(5-nitro-2-furyl)-, propyl ester?
The CAS number of 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, propyl ester is 22996-58-3.
What is the molecular formula of 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, propyl ester?
The molecular formula of 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, propyl ester is C12H12N2O6.
What is the molecular weight of 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, propyl ester?
The molecular weight of 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, propyl ester is 280.07 g/mol.
Where can I buy 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, propyl ester?
You can request a quote for 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, propyl 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-methyl-3-(5-nitro-2-furyl)-, propyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.