2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-phenylethanone
TL;DR: 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-phenylethanone (CAS 184706-40-9) is a chemical compound with molecular formula C10H8N4O3 and molecular weight 232.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitro-1,2,4-triazol-1-yl)-1-phenylethanone
Also Known As: ZERO/001906, BAS 00615865, 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-phenylethanone, 2-(3-nitro-1,2,4-triazol-1-yl)-1-phenylethanone, 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-phenylethan-1-one
| Molecular Formula | C10H8N4O3 |
|---|---|
| Molecular Weight | 232.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 93.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.05965 |
| Heavy Atoms | 17 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 184706-40-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CN2C=NC(=N2)[N+](=O)[O-] |
| InChIKey | BKXFCLQGXYWHEJ-UHFFFAOYSA-N |
Product Overview
2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-phenylethanone (CAS 184706-40-9), with molecular formula C10H8N4O3 and molecular weight 232.06 g/mol. IUPAC: 2-(3-nitro-1,2,4-triazol-1-yl)-1-phenylethanone.
Chemical Property Profile of 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-phenylethanone
Property Insights of 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-phenylethanone
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-phenylethanone. The TPSA of 93.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-phenylethanone. Following Lipinski's Rule of Five, 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-phenylethanone 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 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-phenylethanone?
The CAS number of 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-phenylethanone is 184706-40-9.
What is the molecular formula of 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-phenylethanone?
The molecular formula of 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-phenylethanone is C10H8N4O3.
What is the molecular weight of 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-phenylethanone?
The molecular weight of 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-phenylethanone is 232.06 g/mol.
Where can I buy 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-phenylethanone?
You can request a quote for 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.