1,2-Dimethyl-3-phenyl-6-(trifluoromethyl)-1,2,4,5-tetrazine
TL;DR: 1,2-Dimethyl-3-phenyl-6-(trifluoromethyl)-1,2,4,5-tetrazine (CAS 59872-86-5) is a chemical compound with molecular formula C11H11F3N4 and molecular weight 256.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dimethyl-3-phenyl-6-(trifluoromethyl)-1,2,4,5-tetrazine
Also Known As: 1,2-dimethyl-3-phenyl-6-(trifluoromethyl)-1,2,4,5-tetrazine, 1,2-Dimethyl-3-phenyl-6-(trifluoromethyl)-1,2-dihydro-1,2,4,5-tetrazine
| Molecular Formula | C11H11F3N4 |
|---|---|
| Molecular Weight | 256.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.09357 |
| Heavy Atoms | 18 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 59872-86-5 |
|---|---|
| SMILES | CN1C(=NN=C(N1C)C(F)(F)F)C2=CC=CC=C2 |
| InChIKey | IYBCTIJCTDCYHR-UHFFFAOYSA-N |
Product Overview
1,2-Dimethyl-3-phenyl-6-(trifluoromethyl)-1,2,4,5-tetrazine (CAS 59872-86-5), with molecular formula C11H11F3N4 and molecular weight 256.09 g/mol. IUPAC: 1,2-dimethyl-3-phenyl-6-(trifluoromethyl)-1,2,4,5-tetrazine.
Chemical Property Profile of 1,2-Dimethyl-3-phenyl-6-(trifluoromethyl)-1,2,4,5-tetrazine
Property Insights of 1,2-Dimethyl-3-phenyl-6-(trifluoromethyl)-1,2,4,5-tetrazine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dimethyl-3-phenyl-6-(trifluoromethyl)-1,2,4,5-tetrazine. With a topological polar surface area (TPSA) of 31.2 Ų, 1,2-Dimethyl-3-phenyl-6-(trifluoromethyl)-1,2,4,5-tetrazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dimethyl-3-phenyl-6-(trifluoromethyl)-1,2,4,5-tetrazine has 0 hydrogen bond donor(s) and 5 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 1,2-Dimethyl-3-phenyl-6-(trifluoromethyl)-1,2,4,5-tetrazine?
The CAS number of 1,2-Dimethyl-3-phenyl-6-(trifluoromethyl)-1,2,4,5-tetrazine is 59872-86-5.
What is the molecular formula of 1,2-Dimethyl-3-phenyl-6-(trifluoromethyl)-1,2,4,5-tetrazine?
The molecular formula of 1,2-Dimethyl-3-phenyl-6-(trifluoromethyl)-1,2,4,5-tetrazine is C11H11F3N4.
What is the molecular weight of 1,2-Dimethyl-3-phenyl-6-(trifluoromethyl)-1,2,4,5-tetrazine?
The molecular weight of 1,2-Dimethyl-3-phenyl-6-(trifluoromethyl)-1,2,4,5-tetrazine is 256.09 g/mol.
Where can I buy 1,2-Dimethyl-3-phenyl-6-(trifluoromethyl)-1,2,4,5-tetrazine?
You can request a quote for 1,2-Dimethyl-3-phenyl-6-(trifluoromethyl)-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 1,2-Dimethyl-3-phenyl-6-(trifluoromethyl)-1,2,4,5-tetrazine?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dimethyl-3-phenyl-6-(trifluoromethyl)-1,2,4,5-tetrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.