![4-[4-(benzyloxy)phenyl]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one structure](/static/products/860/860786-69-2.png)
4-[4-(benzyloxy)phenyl]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
TL;DR: 4-[4-(benzyloxy)phenyl]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860786-69-2) is a chemical compound with molecular formula C23H20N4O4 and molecular weight 416.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-[(4-nitrophenyl)methyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-one
Also Known As: 4-[4-(benzyloxy)phenyl]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, 12T-0299, 5-methyl-2-[(4-nitrophenyl)methyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-one, 4-[4-(benzyloxy)phenyl]-3-methyl-1-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one, 4-[4-(benzyloxy)phenyl]-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one
| Molecular Formula | C23H20N4O4 |
|---|---|
| Molecular Weight | 416.15 g/mol |
| LogP | 3.87792 |
| Topological Polar Surface Area | 92.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.14847 |
| Heavy Atoms | 31 |
| Complexity | 1243.7385 |
Chemical Identifiers
| CAS Number | 860786-69-2 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
4-[4-(benzyloxy)phenyl]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860786-69-2), with molecular formula C23H20N4O4 and molecular weight 416.15 g/mol. IUPAC: 5-methyl-2-[(4-nitrophenyl)methyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-one.
Chemical Property Profile of 4-[4-(benzyloxy)phenyl]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Property Insights of 4-[4-(benzyloxy)phenyl]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
The XLogP value of 3.87792 indicates that 4-[4-(benzyloxy)phenyl]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(benzyloxy)phenyl]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one. Following Lipinski's Rule of Five, 4-[4-(benzyloxy)phenyl]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one 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 4-[4-(benzyloxy)phenyl]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
The CAS number of 4-[4-(benzyloxy)phenyl]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is 860786-69-2.
What is the molecular formula of 4-[4-(benzyloxy)phenyl]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular formula of 4-[4-(benzyloxy)phenyl]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is C23H20N4O4.
What is the molecular weight of 4-[4-(benzyloxy)phenyl]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular weight of 4-[4-(benzyloxy)phenyl]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is 416.15 g/mol.
Where can I buy 4-[4-(benzyloxy)phenyl]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
You can request a quote for 4-[4-(benzyloxy)phenyl]-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-[4-(benzyloxy)phenyl]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(benzyloxy)phenyl]-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.