5-(Dichloromethyl)-3-(4-nitrophenyl)-1-phenyl-1,2,4-triazole
TL;DR: 5-(Dichloromethyl)-3-(4-nitrophenyl)-1-phenyl-1,2,4-triazole (CAS 59455-87-7) is a chemical compound with molecular formula C15H10Cl2N4O2 and molecular weight 348.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(dichloromethyl)-3-(4-nitrophenyl)-1-phenyl-1,2,4-triazole
Also Known As: 5-(dichloromethyl)-3-(4-nitrophenyl)-1-phenyl-1,2,4-triazole, 5-(dichloromethyl)-3-(4-nitrophenyl)-1-phenyl-1H-1,2,4-triazole
| Molecular Formula | C15H10Cl2N4O2 |
|---|---|
| Molecular Weight | 348.02 g/mol |
| LogP | 4.3187 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.01807 |
| Heavy Atoms | 23 |
| Complexity | 832.44305 |
Chemical Identifiers
| CAS Number | 59455-87-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(Cl)Cl |
Product Overview
5-(Dichloromethyl)-3-(4-nitrophenyl)-1-phenyl-1,2,4-triazole (CAS 59455-87-7), with molecular formula C15H10Cl2N4O2 and molecular weight 348.02 g/mol. IUPAC: 5-(dichloromethyl)-3-(4-nitrophenyl)-1-phenyl-1,2,4-triazole.
Chemical Property Profile of 5-(Dichloromethyl)-3-(4-nitrophenyl)-1-phenyl-1,2,4-triazole
Property Insights of 5-(Dichloromethyl)-3-(4-nitrophenyl)-1-phenyl-1,2,4-triazole
The XLogP value of 4.3187 indicates that 5-(Dichloromethyl)-3-(4-nitrophenyl)-1-phenyl-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Dichloromethyl)-3-(4-nitrophenyl)-1-phenyl-1,2,4-triazole. Following Lipinski's Rule of Five, 5-(Dichloromethyl)-3-(4-nitrophenyl)-1-phenyl-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 5-(Dichloromethyl)-3-(4-nitrophenyl)-1-phenyl-1,2,4-triazole?
The CAS number of 5-(Dichloromethyl)-3-(4-nitrophenyl)-1-phenyl-1,2,4-triazole is 59455-87-7.
What is the molecular formula of 5-(Dichloromethyl)-3-(4-nitrophenyl)-1-phenyl-1,2,4-triazole?
The molecular formula of 5-(Dichloromethyl)-3-(4-nitrophenyl)-1-phenyl-1,2,4-triazole is C15H10Cl2N4O2.
What is the molecular weight of 5-(Dichloromethyl)-3-(4-nitrophenyl)-1-phenyl-1,2,4-triazole?
The molecular weight of 5-(Dichloromethyl)-3-(4-nitrophenyl)-1-phenyl-1,2,4-triazole is 348.02 g/mol.
Where can I buy 5-(Dichloromethyl)-3-(4-nitrophenyl)-1-phenyl-1,2,4-triazole?
You can request a quote for 5-(Dichloromethyl)-3-(4-nitrophenyl)-1-phenyl-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 5-(Dichloromethyl)-3-(4-nitrophenyl)-1-phenyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Dichloromethyl)-3-(4-nitrophenyl)-1-phenyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.