4-(4-Chlorophenyl)-3H-1,2,4-triazole-3,5(4H)-dione
TL;DR: 4-(4-Chlorophenyl)-3H-1,2,4-triazole-3,5(4H)-dione (CAS 52039-87-9) is a chemical compound with molecular formula C8H4ClN3O2 and molecular weight 209.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-1,2,4-triazole-3,5-dione
Also Known As: 4-(4-Chlorophenyl)-3H-1,2,4-triazole-3,5(4H)-dione, 4-(4-chlorophenyl)-1,2,4-triazole-3,5-dione, 4-(4-chloro-phenyl)-[1,2,4]-triazole-3,5-dione, 4-(p-chlorophenyl)-1,2,4-triazole-3,5-dione, 4-(4-Chloro-phenyl)-[1,2,4]triazole-3,5-dione
| Molecular Formula | C8H4ClN3O2 |
|---|---|
| Molecular Weight | 209.00 g/mol |
| LogP | 2.8522 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.9992 |
| Heavy Atoms | 14 |
| Complexity | 408.71747 |
Chemical Identifiers
| CAS Number | 52039-87-9 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=O)N=NC2=O)Cl |
Product Overview
4-(4-Chlorophenyl)-3H-1,2,4-triazole-3,5(4H)-dione (CAS 52039-87-9), with molecular formula C8H4ClN3O2 and molecular weight 209.00 g/mol. IUPAC: 4-(4-chlorophenyl)-1,2,4-triazole-3,5-dione.
Chemical Property Profile of 4-(4-Chlorophenyl)-3H-1,2,4-triazole-3,5(4H)-dione
Property Insights of 4-(4-Chlorophenyl)-3H-1,2,4-triazole-3,5(4H)-dione
The XLogP value of 2.8522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chlorophenyl)-3H-1,2,4-triazole-3,5(4H)-dione. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chlorophenyl)-3H-1,2,4-triazole-3,5(4H)-dione. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-3H-1,2,4-triazole-3,5(4H)-dione has 0 hydrogen bond donor(s) and 2 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 4-(4-Chlorophenyl)-3H-1,2,4-triazole-3,5(4H)-dione?
The CAS number of 4-(4-Chlorophenyl)-3H-1,2,4-triazole-3,5(4H)-dione is 52039-87-9.
What is the molecular formula of 4-(4-Chlorophenyl)-3H-1,2,4-triazole-3,5(4H)-dione?
The molecular formula of 4-(4-Chlorophenyl)-3H-1,2,4-triazole-3,5(4H)-dione is C8H4ClN3O2.
What is the molecular weight of 4-(4-Chlorophenyl)-3H-1,2,4-triazole-3,5(4H)-dione?
The molecular weight of 4-(4-Chlorophenyl)-3H-1,2,4-triazole-3,5(4H)-dione is 209.00 g/mol.
Where can I buy 4-(4-Chlorophenyl)-3H-1,2,4-triazole-3,5(4H)-dione?
You can request a quote for 4-(4-Chlorophenyl)-3H-1,2,4-triazole-3,5(4H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chlorophenyl)-3H-1,2,4-triazole-3,5(4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-3H-1,2,4-triazole-3,5(4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.