3-Methyl-4-nitroisoxazole-5-carbaldehyde
TL;DR: 3-Methyl-4-nitroisoxazole-5-carbaldehyde (CAS 64360-23-2) is a chemical compound with molecular formula C5H4N2O4 and molecular weight 156.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-nitro-1,2-oxazole-5-carbaldehyde
Also Known As: 3-Methyl-4-nitroisoxazole-5-carbaldehyde, 3-methyl-4-nitro-1,2-oxazole-5-carbaldehyde, WT776, 3-methyl-4-nitro-5-isoxazolecarbaldehyde, 3-methyl-4-nitro-isoxazole-5-carbaldehyde
| Molecular Formula | C5H4N2O4 |
|---|---|
| Molecular Weight | 156.02 g/mol |
| LogP | 0.70372 |
| Topological Polar Surface Area | 86.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.0171 |
| Heavy Atoms | 11 |
| Complexity | 303.4311 |
Chemical Identifiers
| CAS Number | 64360-23-2 |
|---|---|
| SMILES | CC1=NOC(=C1[N+](=O)[O-])C=O |
Product Overview
3-Methyl-4-nitroisoxazole-5-carbaldehyde (CAS 64360-23-2), with molecular formula C5H4N2O4 and molecular weight 156.02 g/mol. IUPAC: 3-methyl-4-nitro-1,2-oxazole-5-carbaldehyde.
Chemical Property Profile of 3-Methyl-4-nitroisoxazole-5-carbaldehyde
Property Insights of 3-Methyl-4-nitroisoxazole-5-carbaldehyde
The XLogP value of 0.70372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-nitroisoxazole-5-carbaldehyde. The TPSA of 86.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-4-nitroisoxazole-5-carbaldehyde. Following Lipinski's Rule of Five, 3-Methyl-4-nitroisoxazole-5-carbaldehyde 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 3-Methyl-4-nitroisoxazole-5-carbaldehyde?
The CAS number of 3-Methyl-4-nitroisoxazole-5-carbaldehyde is 64360-23-2.
What is the molecular formula of 3-Methyl-4-nitroisoxazole-5-carbaldehyde?
The molecular formula of 3-Methyl-4-nitroisoxazole-5-carbaldehyde is C5H4N2O4.
What is the molecular weight of 3-Methyl-4-nitroisoxazole-5-carbaldehyde?
The molecular weight of 3-Methyl-4-nitroisoxazole-5-carbaldehyde is 156.02 g/mol.
Where can I buy 3-Methyl-4-nitroisoxazole-5-carbaldehyde?
You can request a quote for 3-Methyl-4-nitroisoxazole-5-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-nitroisoxazole-5-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-nitroisoxazole-5-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.