1-Methyl-3-nitro-5-phenoxy-1,2,4-triazole
TL;DR: 1-Methyl-3-nitro-5-phenoxy-1,2,4-triazole (CAS 21796-24-7) is a chemical compound with molecular formula C9H8N4O3 and molecular weight 220.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-nitro-5-phenoxy-1,2,4-triazole
Also Known As: 1-methyl-3-nitro-5-phenoxy-1,2,4-triazole, 1-methyl-3-nitro-5-phenoxy-1H-1,2,4-triazole, 1-Methyl-3-nitro-5-phenoxy-1H-[1,2,4]triazole, 1-Methyl-3-nitro-1H-1,2,4-triazol-5-yl phenyl ether #
| Molecular Formula | C9H8N4O3 |
|---|---|
| Molecular Weight | 220.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.05965 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 21796-24-7 |
|---|---|
| SMILES | CN1C(=NC(=N1)[N+](=O)[O-])OC2=CC=CC=C2 |
| InChIKey | CMCHVGUODVTURB-UHFFFAOYSA-N |
Product Overview
1-Methyl-3-nitro-5-phenoxy-1,2,4-triazole (CAS 21796-24-7), with molecular formula C9H8N4O3 and molecular weight 220.06 g/mol. IUPAC: 1-methyl-3-nitro-5-phenoxy-1,2,4-triazole.
Chemical Property Profile of 1-Methyl-3-nitro-5-phenoxy-1,2,4-triazole
Property Insights of 1-Methyl-3-nitro-5-phenoxy-1,2,4-triazole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-nitro-5-phenoxy-1,2,4-triazole. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-3-nitro-5-phenoxy-1,2,4-triazole. Following Lipinski's Rule of Five, 1-Methyl-3-nitro-5-phenoxy-1,2,4-triazole 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 1-Methyl-3-nitro-5-phenoxy-1,2,4-triazole?
The CAS number of 1-Methyl-3-nitro-5-phenoxy-1,2,4-triazole is 21796-24-7.
What is the molecular formula of 1-Methyl-3-nitro-5-phenoxy-1,2,4-triazole?
The molecular formula of 1-Methyl-3-nitro-5-phenoxy-1,2,4-triazole is C9H8N4O3.
What is the molecular weight of 1-Methyl-3-nitro-5-phenoxy-1,2,4-triazole?
The molecular weight of 1-Methyl-3-nitro-5-phenoxy-1,2,4-triazole is 220.06 g/mol.
Where can I buy 1-Methyl-3-nitro-5-phenoxy-1,2,4-triazole?
You can request a quote for 1-Methyl-3-nitro-5-phenoxy-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-nitro-5-phenoxy-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-nitro-5-phenoxy-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.