3-(4-Tert-butylphenyl)-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine
TL;DR: 3-(4-Tert-butylphenyl)-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine (CAS 54820-16-5) is a chemical compound with molecular formula C13H15F3N4 and molecular weight 284.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine
Also Known As: 3-(4-tert-butylphenyl)-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine, 3-(4-tert-butylphenyl)-6-(trifluoromethyl)-1,4-dihydro-1,2,4
| Molecular Formula | C13H15F3N4 |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 48.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.12488 |
| Heavy Atoms | 20 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 54820-16-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NNC(=NN2)C(F)(F)F |
| InChIKey | ANYOPWKYSQJSNL-UHFFFAOYSA-N |
Product Overview
3-(4-Tert-butylphenyl)-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine (CAS 54820-16-5), with molecular formula C13H15F3N4 and molecular weight 284.12 g/mol. IUPAC: 3-(4-tert-butylphenyl)-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine.
Chemical Property Profile of 3-(4-Tert-butylphenyl)-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine
Property Insights of 3-(4-Tert-butylphenyl)-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine
The XLogP value of 4.2 indicates that 3-(4-Tert-butylphenyl)-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.8 Ų, 3-(4-Tert-butylphenyl)-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Tert-butylphenyl)-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine has 2 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 3-(4-Tert-butylphenyl)-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine?
The CAS number of 3-(4-Tert-butylphenyl)-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine is 54820-16-5.
What is the molecular formula of 3-(4-Tert-butylphenyl)-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine?
The molecular formula of 3-(4-Tert-butylphenyl)-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine is C13H15F3N4.
What is the molecular weight of 3-(4-Tert-butylphenyl)-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine?
The molecular weight of 3-(4-Tert-butylphenyl)-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine is 284.12 g/mol.
Where can I buy 3-(4-Tert-butylphenyl)-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine?
You can request a quote for 3-(4-Tert-butylphenyl)-6-(trifluoromethyl)-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-(4-Tert-butylphenyl)-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Tert-butylphenyl)-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.