4-(3-chlorophenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
TL;DR: 4-(3-chlorophenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860786-51-2) is a chemical compound with molecular formula C16H13ClN4O3 and molecular weight 344.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chlorophenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one
Also Known As: 4-(3-chlorophenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, 4-(3-chlorophenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one, 4-(3-chlorophenyl)-3-methyl-1-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one, 4-(3-Chlorophenyl)-2,4-dihydro-5-methyl-2-[(4-nitrophenyl)methyl]-3H-1,2,4-triazol-3-one, 4-(3-Chlorophenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
| Molecular Formula | C16H13ClN4O3 |
|---|---|
| Molecular Weight | 344.07 g/mol |
| LogP | 2.95232 |
| Topological Polar Surface Area | 82.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.06763 |
| Heavy Atoms | 24 |
| Complexity | 960.19904 |
Chemical Identifiers
| CAS Number | 860786-51-2 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=CC(=CC=C2)Cl)CC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-(3-chlorophenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860786-51-2), with molecular formula C16H13ClN4O3 and molecular weight 344.07 g/mol. IUPAC: 4-(3-chlorophenyl)-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one.
Chemical Property Profile of 4-(3-chlorophenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Property Insights of 4-(3-chlorophenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
The XLogP value of 2.95232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-chlorophenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one. The TPSA of 82.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-chlorophenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one. Following Lipinski's Rule of Five, 4-(3-chlorophenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one 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 4-(3-chlorophenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
The CAS number of 4-(3-chlorophenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is 860786-51-2.
What is the molecular formula of 4-(3-chlorophenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular formula of 4-(3-chlorophenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is C16H13ClN4O3.
What is the molecular weight of 4-(3-chlorophenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular weight of 4-(3-chlorophenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is 344.07 g/mol.
Where can I buy 4-(3-chlorophenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
You can request a quote for 4-(3-chlorophenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-chlorophenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-chlorophenyl)-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.