![3-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one structure](/static/products/900/900264-50-8.png)
3-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one
TL;DR: 3-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one (CAS 900264-50-8) is a chemical compound with molecular formula C22H22F3N5O2 and molecular weight 445.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one
Also Known As: 3-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one, 3-(4-oxo-4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)benzo[d][1,2,3]triazin-4(3H)-one, 3-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)-1,2,3-benzotriazin-4(3H)-one
| Molecular Formula | C22H22F3N5O2 |
|---|---|
| Molecular Weight | 445.17 g/mol |
| LogP | 2.9393 |
| Topological Polar Surface Area | 71.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.17255 |
| Heavy Atoms | 32 |
| Complexity | 1169.9303 |
Chemical Identifiers
| CAS Number | 900264-50-8 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CCCN3C(=O)C4=CC=CC=C4N=N3 |
Product Overview
3-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one (CAS 900264-50-8), with molecular formula C22H22F3N5O2 and molecular weight 445.17 g/mol. IUPAC: 3-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one.
Chemical Property Profile of 3-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one
Property Insights of 3-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one
The XLogP value of 2.9393 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one. The TPSA of 71.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one. Following Lipinski's Rule of Five, 3-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one 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 3-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one?
The CAS number of 3-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one is 900264-50-8.
What is the molecular formula of 3-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one?
The molecular formula of 3-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one is C22H22F3N5O2.
What is the molecular weight of 3-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one?
The molecular weight of 3-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one is 445.17 g/mol.
Where can I buy 3-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one?
You can request a quote for 3-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,2,3-benzotriazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.