3-((4-Nitrobenzyl)thio)-5,6-diphenyl-1,2,4-triazine
TL;DR: 3-((4-Nitrobenzyl)thio)-5,6-diphenyl-1,2,4-triazine (CAS 5808-50-4) is a chemical compound with molecular formula C22H16N4O2S and molecular weight 400.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-nitrophenyl)methylsulfanyl]-5,6-diphenyl-1,2,4-triazine
Also Known As: 3-((4-Nitrobenzyl)thio)-5,6-diphenyl-1,2,4-triazine, BAS 01127296, BIM-0048467.P001, 3-[(4-nitrobenzyl)thio]-5,6-diphenyl-1,2,4-triazine, 3-[(4-nitrophenyl)methylsulfanyl]-5,6-diphenyl-1,2,4-triazine
| Molecular Formula | C22H16N4O2S |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | 5.4061 |
| Topological Polar Surface Area | 81.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.0994 |
| Heavy Atoms | 29 |
| Complexity | 1120.6345 |
Chemical Identifiers
| CAS Number | 5808-50-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
3-((4-Nitrobenzyl)thio)-5,6-diphenyl-1,2,4-triazine (CAS 5808-50-4), with molecular formula C22H16N4O2S and molecular weight 400.10 g/mol. IUPAC: 3-[(4-nitrophenyl)methylsulfanyl]-5,6-diphenyl-1,2,4-triazine.
Chemical Property Profile of 3-((4-Nitrobenzyl)thio)-5,6-diphenyl-1,2,4-triazine
Property Insights of 3-((4-Nitrobenzyl)thio)-5,6-diphenyl-1,2,4-triazine
The XLogP value of 5.4061 indicates that 3-((4-Nitrobenzyl)thio)-5,6-diphenyl-1,2,4-triazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-Nitrobenzyl)thio)-5,6-diphenyl-1,2,4-triazine. Following Lipinski's Rule of Five, 3-((4-Nitrobenzyl)thio)-5,6-diphenyl-1,2,4-triazine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((4-Nitrobenzyl)thio)-5,6-diphenyl-1,2,4-triazine?
The CAS number of 3-((4-Nitrobenzyl)thio)-5,6-diphenyl-1,2,4-triazine is 5808-50-4.
What is the molecular formula of 3-((4-Nitrobenzyl)thio)-5,6-diphenyl-1,2,4-triazine?
The molecular formula of 3-((4-Nitrobenzyl)thio)-5,6-diphenyl-1,2,4-triazine is C22H16N4O2S.
What is the molecular weight of 3-((4-Nitrobenzyl)thio)-5,6-diphenyl-1,2,4-triazine?
The molecular weight of 3-((4-Nitrobenzyl)thio)-5,6-diphenyl-1,2,4-triazine is 400.10 g/mol.
Where can I buy 3-((4-Nitrobenzyl)thio)-5,6-diphenyl-1,2,4-triazine?
You can request a quote for 3-((4-Nitrobenzyl)thio)-5,6-diphenyl-1,2,4-triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-Nitrobenzyl)thio)-5,6-diphenyl-1,2,4-triazine?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Nitrobenzyl)thio)-5,6-diphenyl-1,2,4-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.