![1-[(2,4-Dichlorophenyl)methyl]-3-nitro-1,2,4-triazole structure](/static/products/3297/329779-89-7.webp)
1-[(2,4-Dichlorophenyl)methyl]-3-nitro-1,2,4-triazole
TL;DR: 1-[(2,4-Dichlorophenyl)methyl]-3-nitro-1,2,4-triazole (CAS 329779-89-7) is a chemical compound with molecular formula C9H6Cl2N4O2 and molecular weight 271.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,4-dichlorophenyl)methyl]-3-nitro-1,2,4-triazole
Also Known As: 1-[(2,4-dichlorophenyl)methyl]-3-nitro-1,2,4-triazole, 1-(2,4-dichlorobenzyl)-3-nitro-1H-1,2,4-triazole
| Molecular Formula | C9H6Cl2N4O2 |
|---|---|
| Molecular Weight | 271.99 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.9868 |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 329779-89-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)CN2C=NC(=N2)[N+](=O)[O-] |
| InChIKey | IVLRUKLHAOKSDX-UHFFFAOYSA-N |
Product Overview
1-[(2,4-Dichlorophenyl)methyl]-3-nitro-1,2,4-triazole (CAS 329779-89-7), with molecular formula C9H6Cl2N4O2 and molecular weight 271.99 g/mol. IUPAC: 1-[(2,4-dichlorophenyl)methyl]-3-nitro-1,2,4-triazole.
Chemical Property Profile of 1-[(2,4-Dichlorophenyl)methyl]-3-nitro-1,2,4-triazole
Property Insights of 1-[(2,4-Dichlorophenyl)methyl]-3-nitro-1,2,4-triazole
The XLogP value of 3.0 indicates that 1-[(2,4-Dichlorophenyl)methyl]-3-nitro-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2,4-Dichlorophenyl)methyl]-3-nitro-1,2,4-triazole. Following Lipinski's Rule of Five, 1-[(2,4-Dichlorophenyl)methyl]-3-nitro-1,2,4-triazole has 0 hydrogen bond donor(s) and 4 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-[(2,4-Dichlorophenyl)methyl]-3-nitro-1,2,4-triazole?
The CAS number of 1-[(2,4-Dichlorophenyl)methyl]-3-nitro-1,2,4-triazole is 329779-89-7.
What is the molecular formula of 1-[(2,4-Dichlorophenyl)methyl]-3-nitro-1,2,4-triazole?
The molecular formula of 1-[(2,4-Dichlorophenyl)methyl]-3-nitro-1,2,4-triazole is C9H6Cl2N4O2.
What is the molecular weight of 1-[(2,4-Dichlorophenyl)methyl]-3-nitro-1,2,4-triazole?
The molecular weight of 1-[(2,4-Dichlorophenyl)methyl]-3-nitro-1,2,4-triazole is 271.99 g/mol.
Where can I buy 1-[(2,4-Dichlorophenyl)methyl]-3-nitro-1,2,4-triazole?
You can request a quote for 1-[(2,4-Dichlorophenyl)methyl]-3-nitro-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-[(2,4-Dichlorophenyl)methyl]-3-nitro-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2,4-Dichlorophenyl)methyl]-3-nitro-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.