1,2-Bis(3-nitrobenzyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
TL;DR: 1,2-Bis(3-nitrobenzyl)-4-phenyl-1,2,4-triazolidine-3,5-dione (CAS 627059-49-8) is a chemical compound with molecular formula C22H17N5O6 and molecular weight 447.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-bis[(3-nitrophenyl)methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione
Also Known As: 1,2-bis(3-nitrobenzyl)-4-phenyl-1,2,4-triazolidine-3,5-dione, 1,2-bis[(3-nitrophenyl)methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione
| Molecular Formula | C22H17N5O6 |
|---|---|
| Molecular Weight | 447.12 g/mol |
| LogP | 2.7137 |
| Topological Polar Surface Area | 135.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.1179 |
| Heavy Atoms | 33 |
| Complexity | 1377.6273 |
Chemical Identifiers
| CAS Number | 627059-49-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)N(N(C2=O)CC3=CC(=CC=C3)[N+](=O)[O-])CC4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
1,2-Bis(3-nitrobenzyl)-4-phenyl-1,2,4-triazolidine-3,5-dione (CAS 627059-49-8), with molecular formula C22H17N5O6 and molecular weight 447.12 g/mol. IUPAC: 1,2-bis[(3-nitrophenyl)methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione.
Chemical Property Profile of 1,2-Bis(3-nitrobenzyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
Property Insights of 1,2-Bis(3-nitrobenzyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
The XLogP value of 2.7137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Bis(3-nitrobenzyl)-4-phenyl-1,2,4-triazolidine-3,5-dione. The TPSA of 135.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Bis(3-nitrobenzyl)-4-phenyl-1,2,4-triazolidine-3,5-dione. Following Lipinski's Rule of Five, 1,2-Bis(3-nitrobenzyl)-4-phenyl-1,2,4-triazolidine-3,5-dione has 0 hydrogen bond donor(s) and 6 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-Bis(3-nitrobenzyl)-4-phenyl-1,2,4-triazolidine-3,5-dione?
The CAS number of 1,2-Bis(3-nitrobenzyl)-4-phenyl-1,2,4-triazolidine-3,5-dione is 627059-49-8.
What is the molecular formula of 1,2-Bis(3-nitrobenzyl)-4-phenyl-1,2,4-triazolidine-3,5-dione?
The molecular formula of 1,2-Bis(3-nitrobenzyl)-4-phenyl-1,2,4-triazolidine-3,5-dione is C22H17N5O6.
What is the molecular weight of 1,2-Bis(3-nitrobenzyl)-4-phenyl-1,2,4-triazolidine-3,5-dione?
The molecular weight of 1,2-Bis(3-nitrobenzyl)-4-phenyl-1,2,4-triazolidine-3,5-dione is 447.12 g/mol.
Where can I buy 1,2-Bis(3-nitrobenzyl)-4-phenyl-1,2,4-triazolidine-3,5-dione?
You can request a quote for 1,2-Bis(3-nitrobenzyl)-4-phenyl-1,2,4-triazolidine-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Bis(3-nitrobenzyl)-4-phenyl-1,2,4-triazolidine-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Bis(3-nitrobenzyl)-4-phenyl-1,2,4-triazolidine-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.