1-(4-Nitrophenyl)-3,5-diphenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium
TL;DR: 1-(4-Nitrophenyl)-3,5-diphenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium (CAS 756434-80-7) is a chemical compound with molecular formula C20H16N5O2+ and molecular weight 358.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-4,6-diphenyl-3H-1,2,4,5-tetrazin-2-ium
Also Known As: NCI60_019613, 1-(4-nitrophenyl)-3,5-diphenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium, 5,6-Dihydro-1-(4-nitrophenyl)-3,5-diphenyl-1,2,4,5-tetrazinium, 2-(4-nitrophenyl)-4,6-diphenyl-3H-1,2,4,5-tetrazin-2-ium
| Molecular Formula | C20H16N5O2+ |
|---|---|
| Molecular Weight | 358.13 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 76.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.1304 |
| Heavy Atoms | 27 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 756434-80-7 |
|---|---|
| SMILES | C1N(N=C(N=[N+]1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | RWPLLDRBHNWMJT-UHFFFAOYSA-N |
Product Overview
1-(4-Nitrophenyl)-3,5-diphenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium (CAS 756434-80-7), with molecular formula C20H16N5O2+ and molecular weight 358.13 g/mol. IUPAC: 2-(4-nitrophenyl)-4,6-diphenyl-3H-1,2,4,5-tetrazin-2-ium.
Chemical Property Profile of 1-(4-Nitrophenyl)-3,5-diphenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium
Property Insights of 1-(4-Nitrophenyl)-3,5-diphenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium
The XLogP value of 5.2 indicates that 1-(4-Nitrophenyl)-3,5-diphenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrophenyl)-3,5-diphenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)-3,5-diphenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-Nitrophenyl)-3,5-diphenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium?
The CAS number of 1-(4-Nitrophenyl)-3,5-diphenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium is 756434-80-7.
What is the molecular formula of 1-(4-Nitrophenyl)-3,5-diphenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium?
The molecular formula of 1-(4-Nitrophenyl)-3,5-diphenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium is C20H16N5O2+.
What is the molecular weight of 1-(4-Nitrophenyl)-3,5-diphenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium?
The molecular weight of 1-(4-Nitrophenyl)-3,5-diphenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium is 358.13 g/mol.
Where can I buy 1-(4-Nitrophenyl)-3,5-diphenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium?
You can request a quote for 1-(4-Nitrophenyl)-3,5-diphenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrophenyl)-3,5-diphenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenyl)-3,5-diphenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.