![3-[4-(Trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-imine structure](/static/products/4778/477865-80-8.webp)
3-[4-(Trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-imine
TL;DR: 3-[4-(Trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-imine (CAS 477865-80-8) is a chemical compound with molecular formula C14H9F3N4 and molecular weight 290.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-imine
Also Known As: 3-[4-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-imine, 3-[4-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4(3H)-imine, 3-(4-(Trifluoromethyl)phenyl)-1,2,3-benzotriazin-4(3H)-imine, 3-(4-(trifluoromethyl)phenyl)benzo[d][1,2,3]triazin-4(3H)-imine, 3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,2,3-benzotriazin-4-imine
| Molecular Formula | C14H9F3N4 |
|---|---|
| Molecular Weight | 290.08 g/mol |
| LogP | 2.91877 |
| Topological Polar Surface Area | 54.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.07794 |
| Heavy Atoms | 21 |
| Complexity | 850.4624 |
Chemical Identifiers
| CAS Number | 477865-80-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=N)N(N=N2)C3=CC=C(C=C3)C(F)(F)F |
Product Overview
3-[4-(Trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-imine (CAS 477865-80-8), with molecular formula C14H9F3N4 and molecular weight 290.08 g/mol. IUPAC: 3-[4-(trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-imine.
Chemical Property Profile of 3-[4-(Trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-imine
Property Insights of 3-[4-(Trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-imine
The XLogP value of 2.91877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(Trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-imine. With a topological polar surface area (TPSA) of 54.56 Ų, 3-[4-(Trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(Trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-imine has 1 hydrogen bond donor(s) and 3 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-(Trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-imine?
The CAS number of 3-[4-(Trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-imine is 477865-80-8.
What is the molecular formula of 3-[4-(Trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-imine?
The molecular formula of 3-[4-(Trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-imine is C14H9F3N4.
What is the molecular weight of 3-[4-(Trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-imine?
The molecular weight of 3-[4-(Trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-imine is 290.08 g/mol.
Where can I buy 3-[4-(Trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-imine?
You can request a quote for 3-[4-(Trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(Trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-imine?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(Trifluoromethyl)phenyl]-1,2,3-benzotriazin-4-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.