3,6-Bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine
TL;DR: 3,6-Bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine (CAS 5153-21-9) is a chemical compound with molecular formula C14H10N6O4 and molecular weight 326.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine
Also Known As: 3,6-bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine, 1,2,4,5-TETRAZINE,1,4-DIHYDRO-3,6-BIS(3-NITROPHENYL)-, 3,6-Bis(3-nitrophenyl)-1,2-dihydro-1,2,4,5-tetrazine
| Molecular Formula | C14H10N6O4 |
|---|---|
| Molecular Weight | 326.08 g/mol |
| LogP | 1.7192 |
| Topological Polar Surface Area | 135.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.07635 |
| Heavy Atoms | 24 |
| Complexity | 818.8383 |
Chemical Identifiers
| CAS Number | 5153-21-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
3,6-Bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine (CAS 5153-21-9), with molecular formula C14H10N6O4 and molecular weight 326.08 g/mol. IUPAC: 3,6-bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine.
Chemical Property Profile of 3,6-Bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine
Property Insights of 3,6-Bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine
The XLogP value of 1.7192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine. The TPSA of 135.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-Bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine. Following Lipinski's Rule of Five, 3,6-Bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine has 2 hydrogen bond donor(s) and 8 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 3,6-Bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine?
The CAS number of 3,6-Bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine is 5153-21-9.
What is the molecular formula of 3,6-Bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine?
The molecular formula of 3,6-Bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine is C14H10N6O4.
What is the molecular weight of 3,6-Bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine?
The molecular weight of 3,6-Bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine is 326.08 g/mol.
Where can I buy 3,6-Bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine?
You can request a quote for 3,6-Bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Bis(3-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.