Ketone, methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl
TL;DR: Ketone, methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl (CAS 15154-19-5) is a chemical compound with molecular formula C10H8N2O5 and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazol-4-yl]ethanone
Also Known As: 3-(5-Nitro-2-furyl)isoxazoline deriv, KETONE, METHYL 5-METHYL-3-(5-NITRO-2-FURYL)-4-ISOXAZOLYL, Methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl ketone, 4-Acetyl-5-methyl-3-(5-nitro-2-furyl)isoxazole, 1-[5-methyl-3-(5-nitro-2-furyl)isoxazol-4-yl]ethanone
| Molecular Formula | C10H8N2O5 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.04332 |
| Heavy Atoms | 17 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 15154-19-5 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=C(O2)[N+](=O)[O-])C(=O)C |
| InChIKey | NMGLBZPNXPRERV-UHFFFAOYSA-N |
Product Overview
Ketone, methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl (CAS 15154-19-5), with molecular formula C10H8N2O5 and molecular weight 236.04 g/mol. IUPAC: 1-[5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazol-4-yl]ethanone.
Chemical Property Profile of Ketone, methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl
Property Insights of Ketone, methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ketone, methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ketone, methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl. Following Lipinski's Rule of Five, Ketone, methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl has 0 hydrogen bond donor(s) and 6 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 Ketone, methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl?
The CAS number of Ketone, methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl is 15154-19-5.
What is the molecular formula of Ketone, methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl?
The molecular formula of Ketone, methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl is C10H8N2O5.
What is the molecular weight of Ketone, methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl?
The molecular weight of Ketone, methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl is 236.04 g/mol.
Where can I buy Ketone, methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl?
You can request a quote for Ketone, methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketone, methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl?
Yes, KEHONG BIO provides custom synthesis services for Ketone, methyl 5-methyl-3-(5-nitro-2-furyl)-4-isoxazolyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.