Isoxazole, 5-methyl-3-(5-nitro-2-furyl)-
TL;DR: Isoxazole, 5-methyl-3-(5-nitro-2-furyl)- (CAS 7194-19-6) is a chemical compound with molecular formula C8H6N2O4 and molecular weight 194.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole
Also Known As: 5-Methyl-3-(5-nitro-2-furyl)isoxazole, 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole, ISOXAZOLE, 5-METHYL-3-(5-NITRO-2-FURYL)-, BRN 1114287
| Molecular Formula | C8H6N2O4 |
|---|---|
| Molecular Weight | 194.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.03276 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 7194-19-6 |
|---|---|
| SMILES | CC1=CC(=NO1)C2=CC=C(O2)[N+](=O)[O-] |
| InChIKey | UXLUNUMAVQBQAD-UHFFFAOYSA-N |
Product Overview
Isoxazole, 5-methyl-3-(5-nitro-2-furyl)- (CAS 7194-19-6), with molecular formula C8H6N2O4 and molecular weight 194.03 g/mol. IUPAC: 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole.
Chemical Property Profile of Isoxazole, 5-methyl-3-(5-nitro-2-furyl)-
Property Insights of Isoxazole, 5-methyl-3-(5-nitro-2-furyl)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoxazole, 5-methyl-3-(5-nitro-2-furyl)-. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoxazole, 5-methyl-3-(5-nitro-2-furyl)-. Following Lipinski's Rule of Five, Isoxazole, 5-methyl-3-(5-nitro-2-furyl)- has 0 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 Isoxazole, 5-methyl-3-(5-nitro-2-furyl)-?
The CAS number of Isoxazole, 5-methyl-3-(5-nitro-2-furyl)- is 7194-19-6.
What is the molecular formula of Isoxazole, 5-methyl-3-(5-nitro-2-furyl)-?
The molecular formula of Isoxazole, 5-methyl-3-(5-nitro-2-furyl)- is C8H6N2O4.
What is the molecular weight of Isoxazole, 5-methyl-3-(5-nitro-2-furyl)-?
The molecular weight of Isoxazole, 5-methyl-3-(5-nitro-2-furyl)- is 194.03 g/mol.
Where can I buy Isoxazole, 5-methyl-3-(5-nitro-2-furyl)-?
You can request a quote for Isoxazole, 5-methyl-3-(5-nitro-2-furyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxazole, 5-methyl-3-(5-nitro-2-furyl)-?
Yes, KEHONG BIO provides custom synthesis services for Isoxazole, 5-methyl-3-(5-nitro-2-furyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.