3-Naphthalen-2-yl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine
TL;DR: 3-Naphthalen-2-yl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine (CAS 5224-49-7) is a chemical compound with molecular formula C13H9F3N4 and molecular weight 278.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-naphthalen-2-yl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine
Also Known As: 3-naphthalen-2-yl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine, 3-naphthalen-2-yl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-te, 3-(Naphthalen-2-yl)-6-(trifluoromethyl)-1,2-dihydro-1,2,4,5-tetrazine
| Molecular Formula | C13H9F3N4 |
|---|---|
| Molecular Weight | 278.08 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 48.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.07794 |
| Heavy Atoms | 20 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 5224-49-7 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)C3=NNC(=NN3)C(F)(F)F |
| InChIKey | DEEJZBMFCIOFBQ-UHFFFAOYSA-N |
Product Overview
3-Naphthalen-2-yl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine (CAS 5224-49-7), with molecular formula C13H9F3N4 and molecular weight 278.08 g/mol. IUPAC: 3-naphthalen-2-yl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine.
Chemical Property Profile of 3-Naphthalen-2-yl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine
Property Insights of 3-Naphthalen-2-yl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine
The XLogP value of 3.8 indicates that 3-Naphthalen-2-yl-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-Naphthalen-2-yl-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-Naphthalen-2-yl-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-Naphthalen-2-yl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine?
The CAS number of 3-Naphthalen-2-yl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine is 5224-49-7.
What is the molecular formula of 3-Naphthalen-2-yl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine?
The molecular formula of 3-Naphthalen-2-yl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine is C13H9F3N4.
What is the molecular weight of 3-Naphthalen-2-yl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine?
The molecular weight of 3-Naphthalen-2-yl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine is 278.08 g/mol.
Where can I buy 3-Naphthalen-2-yl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine?
You can request a quote for 3-Naphthalen-2-yl-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-Naphthalen-2-yl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine?
Yes, KEHONG BIO provides custom synthesis services for 3-Naphthalen-2-yl-6-(trifluoromethyl)-1,4-dihydro-1,2,4,5-tetrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.