3-(2,3-dihydro-1H-tetrazol-5-yl)-6-(2H-tetrazol-5-yl)-1,2,4,5-tetrazine
TL;DR: 3-(2,3-dihydro-1H-tetrazol-5-yl)-6-(2H-tetrazol-5-yl)-1,2,4,5-tetrazine (CAS 78697-35-5) is a chemical compound with molecular formula C4H4N12 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3-dihydro-1H-tetrazol-5-yl)-6-(2H-tetrazol-5-yl)-1,2,4,5-tetrazine
Also Known As: NCIStruc1_000795, NCIStruc2_000738, NCI60_002311, J1.490.552I, 1,4-Dihydro-3,6-bis(2H-tetrazole-5-yl)-1,2,4,5-tetrazine
| Molecular Formula | C4H4N12 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.06819 |
| Heavy Atoms | 16 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 78697-35-5 |
|---|---|
| SMILES | C1(=NNNN1)C2=NN=C(N=N2)C3=NNN=N3 |
| InChIKey | ORRMJBBFOFPMEC-UHFFFAOYSA-N |
Product Overview
3-(2,3-dihydro-1H-tetrazol-5-yl)-6-(2H-tetrazol-5-yl)-1,2,4,5-tetrazine (CAS 78697-35-5), with molecular formula C4H4N12 and molecular weight 220.07 g/mol. IUPAC: 3-(2,3-dihydro-1H-tetrazol-5-yl)-6-(2H-tetrazol-5-yl)-1,2,4,5-tetrazine.
Chemical Property Profile of 3-(2,3-dihydro-1H-tetrazol-5-yl)-6-(2H-tetrazol-5-yl)-1,2,4,5-tetrazine
Property Insights of 3-(2,3-dihydro-1H-tetrazol-5-yl)-6-(2H-tetrazol-5-yl)-1,2,4,5-tetrazine
The XLogP value of -1.6 indicates that 3-(2,3-dihydro-1H-tetrazol-5-yl)-6-(2H-tetrazol-5-yl)-1,2,4,5-tetrazine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.0 Ų indicates high polarity, suggesting 3-(2,3-dihydro-1H-tetrazol-5-yl)-6-(2H-tetrazol-5-yl)-1,2,4,5-tetrazine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(2,3-dihydro-1H-tetrazol-5-yl)-6-(2H-tetrazol-5-yl)-1,2,4,5-tetrazine has 4 hydrogen bond donor(s) and 10 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-(2,3-dihydro-1H-tetrazol-5-yl)-6-(2H-tetrazol-5-yl)-1,2,4,5-tetrazine?
The CAS number of 3-(2,3-dihydro-1H-tetrazol-5-yl)-6-(2H-tetrazol-5-yl)-1,2,4,5-tetrazine is 78697-35-5.
What is the molecular formula of 3-(2,3-dihydro-1H-tetrazol-5-yl)-6-(2H-tetrazol-5-yl)-1,2,4,5-tetrazine?
The molecular formula of 3-(2,3-dihydro-1H-tetrazol-5-yl)-6-(2H-tetrazol-5-yl)-1,2,4,5-tetrazine is C4H4N12.
What is the molecular weight of 3-(2,3-dihydro-1H-tetrazol-5-yl)-6-(2H-tetrazol-5-yl)-1,2,4,5-tetrazine?
The molecular weight of 3-(2,3-dihydro-1H-tetrazol-5-yl)-6-(2H-tetrazol-5-yl)-1,2,4,5-tetrazine is 220.07 g/mol.
Where can I buy 3-(2,3-dihydro-1H-tetrazol-5-yl)-6-(2H-tetrazol-5-yl)-1,2,4,5-tetrazine?
You can request a quote for 3-(2,3-dihydro-1H-tetrazol-5-yl)-6-(2H-tetrazol-5-yl)-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-(2,3-dihydro-1H-tetrazol-5-yl)-6-(2H-tetrazol-5-yl)-1,2,4,5-tetrazine?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,3-dihydro-1H-tetrazol-5-yl)-6-(2H-tetrazol-5-yl)-1,2,4,5-tetrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.