3,6-Di(pyridin-4-yl)-1,4-dihydro-1,2,4,5-tetrazine
TL;DR: 3,6-Di(pyridin-4-yl)-1,4-dihydro-1,2,4,5-tetrazine (CAS 31599-25-4) is a chemical compound with molecular formula C12H10N6 and molecular weight 238.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dipyridin-4-yl-1,4-dihydro-1,2,4,5-tetrazine
Also Known As: Isoniazid Impurity E, Topiroxostat Impurity 25, 3,6-di(pyridin-4-yl)-1,4-dihydro-1,2,4,5-tetrazine, 3,6-dipyridin-4-yl-1,4-dihydro-1,2,4,5-tetrazine, J2.080.612E
| Molecular Formula | C12H10N6 |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.0967 |
| Heavy Atoms | 18 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 31599-25-4 |
|---|---|
| SMILES | C1=CN=CC=C1C2=NNC(=NN2)C3=CC=NC=C3 |
| InChIKey | QWYDFEKBBFVMQW-UHFFFAOYSA-N |
Product Overview
3,6-Di(pyridin-4-yl)-1,4-dihydro-1,2,4,5-tetrazine (CAS 31599-25-4), with molecular formula C12H10N6 and molecular weight 238.10 g/mol. IUPAC: 3,6-dipyridin-4-yl-1,4-dihydro-1,2,4,5-tetrazine.
Chemical Property Profile of 3,6-Di(pyridin-4-yl)-1,4-dihydro-1,2,4,5-tetrazine
Property Insights of 3,6-Di(pyridin-4-yl)-1,4-dihydro-1,2,4,5-tetrazine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Di(pyridin-4-yl)-1,4-dihydro-1,2,4,5-tetrazine. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-Di(pyridin-4-yl)-1,4-dihydro-1,2,4,5-tetrazine. Following Lipinski's Rule of Five, 3,6-Di(pyridin-4-yl)-1,4-dihydro-1,2,4,5-tetrazine has 2 hydrogen bond donor(s) and 4 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-Di(pyridin-4-yl)-1,4-dihydro-1,2,4,5-tetrazine?
The CAS number of 3,6-Di(pyridin-4-yl)-1,4-dihydro-1,2,4,5-tetrazine is 31599-25-4.
What is the molecular formula of 3,6-Di(pyridin-4-yl)-1,4-dihydro-1,2,4,5-tetrazine?
The molecular formula of 3,6-Di(pyridin-4-yl)-1,4-dihydro-1,2,4,5-tetrazine is C12H10N6.
What is the molecular weight of 3,6-Di(pyridin-4-yl)-1,4-dihydro-1,2,4,5-tetrazine?
The molecular weight of 3,6-Di(pyridin-4-yl)-1,4-dihydro-1,2,4,5-tetrazine is 238.10 g/mol.
Where can I buy 3,6-Di(pyridin-4-yl)-1,4-dihydro-1,2,4,5-tetrazine?
You can request a quote for 3,6-Di(pyridin-4-yl)-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-Di(pyridin-4-yl)-1,4-dihydro-1,2,4,5-tetrazine?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Di(pyridin-4-yl)-1,4-dihydro-1,2,4,5-tetrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.