3-Methyl-4-nitro-1,2,5-oxadiazole
TL;DR: 3-Methyl-4-nitro-1,2,5-oxadiazole (CAS 77666-53-6) is a chemical compound with molecular formula C3H3N3O3 and molecular weight 129.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-nitro-1,2,5-oxadiazole
Also Known As: 3-methyl-4-nitro-1,2,5-oxadiazole, furazan, methylnitro, 3-Methyl-4-nitrofurazan, 3-Nitro-4-methylfurazan, ZERO/008163
| Molecular Formula | C3H3N3O3 |
|---|---|
| Molecular Weight | 129.02 g/mol |
| LogP | 0.28622 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 129.01744 |
| Heavy Atoms | 9 |
| Complexity | 229.96178 |
Chemical Identifiers
| CAS Number | 77666-53-6 |
|---|---|
| SMILES | CC1=NON=C1[N+](=O)[O-] |
Product Overview
3-Methyl-4-nitro-1,2,5-oxadiazole (CAS 77666-53-6), with molecular formula C3H3N3O3 and molecular weight 129.02 g/mol. IUPAC: 3-methyl-4-nitro-1,2,5-oxadiazole.
Chemical Property Profile of 3-Methyl-4-nitro-1,2,5-oxadiazole
Property Insights of 3-Methyl-4-nitro-1,2,5-oxadiazole
The XLogP value of 0.28622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-nitro-1,2,5-oxadiazole. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-4-nitro-1,2,5-oxadiazole. Following Lipinski's Rule of Five, 3-Methyl-4-nitro-1,2,5-oxadiazole 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-nitro-1,2,5-oxadiazole?
The CAS number of 3-Methyl-4-nitro-1,2,5-oxadiazole is 77666-53-6.
What is the molecular formula of 3-Methyl-4-nitro-1,2,5-oxadiazole?
The molecular formula of 3-Methyl-4-nitro-1,2,5-oxadiazole is C3H3N3O3.
What is the molecular weight of 3-Methyl-4-nitro-1,2,5-oxadiazole?
The molecular weight of 3-Methyl-4-nitro-1,2,5-oxadiazole is 129.02 g/mol.
Where can I buy 3-Methyl-4-nitro-1,2,5-oxadiazole?
You can request a quote for 3-Methyl-4-nitro-1,2,5-oxadiazole 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-nitro-1,2,5-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-nitro-1,2,5-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.