![3-{4-[4-(4-fluorophenyl)piperazino]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one structure](/static/products/4403/440331-41-9.webp)
3-{4-[4-(4-fluorophenyl)piperazino]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one
TL;DR: 3-{4-[4-(4-fluorophenyl)piperazino]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one (CAS 440331-41-9) is a chemical compound with molecular formula C21H22FN5O2 and molecular weight 395.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-1,2,3-benzotriazin-4-one
Also Known As: EiM07-17915, 3-{4-[4-(4-fluorophenyl)piperazino]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one, 3-(4-(4-(4-fluorophenyl)piperazin-1-yl)-4-oxobutyl)benzo[d][1,2,3]triazin-4(3H)-one, 3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-1,2,3-benzotriazin-4-one, 3-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one
| Molecular Formula | C21H22FN5O2 |
|---|---|
| Molecular Weight | 395.18 g/mol |
| LogP | 2.0596 |
| Topological Polar Surface Area | 71.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.17575 |
| Heavy Atoms | 29 |
| Complexity | 1058.6046 |
Chemical Identifiers
| CAS Number | 440331-41-9 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCCN3C(=O)C4=CC=CC=C4N=N3 |
Product Overview
3-{4-[4-(4-fluorophenyl)piperazino]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one (CAS 440331-41-9), with molecular formula C21H22FN5O2 and molecular weight 395.18 g/mol. IUPAC: 3-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-1,2,3-benzotriazin-4-one.
Chemical Property Profile of 3-{4-[4-(4-fluorophenyl)piperazino]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one
Property Insights of 3-{4-[4-(4-fluorophenyl)piperazino]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one
The XLogP value of 2.0596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{4-[4-(4-fluorophenyl)piperazino]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one. The TPSA of 71.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{4-[4-(4-fluorophenyl)piperazino]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one. Following Lipinski's Rule of Five, 3-{4-[4-(4-fluorophenyl)piperazino]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-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-[4-(4-fluorophenyl)piperazino]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one?
The CAS number of 3-{4-[4-(4-fluorophenyl)piperazino]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one is 440331-41-9.
What is the molecular formula of 3-{4-[4-(4-fluorophenyl)piperazino]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one?
The molecular formula of 3-{4-[4-(4-fluorophenyl)piperazino]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one is C21H22FN5O2.
What is the molecular weight of 3-{4-[4-(4-fluorophenyl)piperazino]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one?
The molecular weight of 3-{4-[4-(4-fluorophenyl)piperazino]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one is 395.18 g/mol.
Where can I buy 3-{4-[4-(4-fluorophenyl)piperazino]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one?
You can request a quote for 3-{4-[4-(4-fluorophenyl)piperazino]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-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-[4-(4-fluorophenyl)piperazino]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{4-[4-(4-fluorophenyl)piperazino]-4-oxobutyl}-1,2,3-benzotriazin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.