3-Methyl-4-nitrofuroxan
TL;DR: 3-Methyl-4-nitrofuroxan (CAS 5570-27-4) is a chemical compound with molecular formula C3H3N3O4 and molecular weight 145.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-nitro-2-oxido-1,2,5-oxadiazol-2-ium
Also Known As: Methylnitrofuroxan, 3-Methyl-4-nitrofuroxan, 4-Methyl-3-nitrofuroxan, 3-Methyl-4-nitrofurazan 5-oxide, KST-1B5762
| Molecular Formula | C3H3N3O4 |
|---|---|
| Molecular Weight | 145.01 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 97.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.01236 |
| Heavy Atoms | 10 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 5570-27-4 |
|---|---|
| SMILES | CC1=NO[N+](=C1[N+](=O)[O-])[O-] |
| InChIKey | KQXOSOWBVBOOAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-4-nitrofuroxan (CAS 5570-27-4), with molecular formula C3H3N3O4 and molecular weight 145.01 g/mol. IUPAC: 4-methyl-3-nitro-2-oxido-1,2,5-oxadiazol-2-ium.
Chemical Property Profile of 3-Methyl-4-nitrofuroxan
Property Insights of 3-Methyl-4-nitrofuroxan
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-nitrofuroxan. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-4-nitrofuroxan. Following Lipinski's Rule of Five, 3-Methyl-4-nitrofuroxan 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-nitrofuroxan?
The CAS number of 3-Methyl-4-nitrofuroxan is 5570-27-4.
What is the molecular formula of 3-Methyl-4-nitrofuroxan?
The molecular formula of 3-Methyl-4-nitrofuroxan is C3H3N3O4.
What is the molecular weight of 3-Methyl-4-nitrofuroxan?
The molecular weight of 3-Methyl-4-nitrofuroxan is 145.01 g/mol.
Where can I buy 3-Methyl-4-nitrofuroxan?
You can request a quote for 3-Methyl-4-nitrofuroxan 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-nitrofuroxan?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-nitrofuroxan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.