3,6-Bis(phenoxymethyl)-1,2-dihydro-1,2,4,5-tetrazine
TL;DR: 3,6-Bis(phenoxymethyl)-1,2-dihydro-1,2,4,5-tetrazine (CAS 300390-59-4) is a chemical compound with molecular formula C16H16N4O2 and molecular weight 296.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-bis(phenoxymethyl)-1,4-dihydro-1,2,4,5-tetrazine
Also Known As: 3,6-bis(phenoxymethyl)-1,2-dihydro-1,2,4,5-tetrazine, BAS 00931448, BIM-0024443.P001, 3,6-bis(phenoxymethyl)-1,4-dihydro-1,2,4,5-tetrazine, 3,6-bis(phenoxymethyl)-1,2-dihydro-1,2,4,5-tetraazine
| Molecular Formula | C16H16N4O2 |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 296.12732 |
| Heavy Atoms | 22 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 300390-59-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC2=NNC(=NN2)COC3=CC=CC=C3 |
| InChIKey | PKIKZJZYXDNLCY-UHFFFAOYSA-N |
Product Overview
3,6-Bis(phenoxymethyl)-1,2-dihydro-1,2,4,5-tetrazine (CAS 300390-59-4), with molecular formula C16H16N4O2 and molecular weight 296.13 g/mol. IUPAC: 3,6-bis(phenoxymethyl)-1,4-dihydro-1,2,4,5-tetrazine.
Chemical Property Profile of 3,6-Bis(phenoxymethyl)-1,2-dihydro-1,2,4,5-tetrazine
Property Insights of 3,6-Bis(phenoxymethyl)-1,2-dihydro-1,2,4,5-tetrazine
The XLogP value of 3.0 indicates that 3,6-Bis(phenoxymethyl)-1,2-dihydro-1,2,4,5-tetrazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-Bis(phenoxymethyl)-1,2-dihydro-1,2,4,5-tetrazine. Following Lipinski's Rule of Five, 3,6-Bis(phenoxymethyl)-1,2-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-Bis(phenoxymethyl)-1,2-dihydro-1,2,4,5-tetrazine?
The CAS number of 3,6-Bis(phenoxymethyl)-1,2-dihydro-1,2,4,5-tetrazine is 300390-59-4.
What is the molecular formula of 3,6-Bis(phenoxymethyl)-1,2-dihydro-1,2,4,5-tetrazine?
The molecular formula of 3,6-Bis(phenoxymethyl)-1,2-dihydro-1,2,4,5-tetrazine is C16H16N4O2.
What is the molecular weight of 3,6-Bis(phenoxymethyl)-1,2-dihydro-1,2,4,5-tetrazine?
The molecular weight of 3,6-Bis(phenoxymethyl)-1,2-dihydro-1,2,4,5-tetrazine is 296.13 g/mol.
Where can I buy 3,6-Bis(phenoxymethyl)-1,2-dihydro-1,2,4,5-tetrazine?
You can request a quote for 3,6-Bis(phenoxymethyl)-1,2-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(phenoxymethyl)-1,2-dihydro-1,2,4,5-tetrazine?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Bis(phenoxymethyl)-1,2-dihydro-1,2,4,5-tetrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.