![3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4(3H)-one structure](/static/products/440/440331-77-1.png)
3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4(3H)-one
TL;DR: 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4(3H)-one (CAS 440331-77-1) is a chemical compound with molecular formula C21H23N5O2 and molecular weight 377.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4-one
Also Known As: 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4(3H)-one, 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4-one, 3-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)benzo[d][1,2,3]triazin-4(3H)-one, 9-[3-(4-benzylpiperazin-1-yl)-3-oxo-propyl]-7,8,9-triazabicyclo[4.4.0]deca-1,3,5,7-tetraen-10-one
| Molecular Formula | C21H23N5O2 |
|---|---|
| Molecular Weight | 377.19 g/mol |
| LogP | 1.526 |
| Topological Polar Surface Area | 71.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.18518 |
| Heavy Atoms | 28 |
| Complexity | 1009.9846 |
Chemical Identifiers
| CAS Number | 440331-77-1 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4N=N3 |
Product Overview
3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4(3H)-one (CAS 440331-77-1), with molecular formula C21H23N5O2 and molecular weight 377.19 g/mol. IUPAC: 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4-one.
Chemical Property Profile of 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4(3H)-one
Property Insights of 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4(3H)-one
The XLogP value of 1.526 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-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-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4(3H)-one. Following Lipinski's Rule of Five, 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-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-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4(3H)-one?
The CAS number of 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4(3H)-one is 440331-77-1.
What is the molecular formula of 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4(3H)-one?
The molecular formula of 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4(3H)-one is C21H23N5O2.
What is the molecular weight of 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4(3H)-one?
The molecular weight of 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4(3H)-one is 377.19 g/mol.
Where can I buy 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4(3H)-one?
You can request a quote for 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-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-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.