![3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-1,2,3-benzotriazin-4(3H)-one structure](/static/products/879/879762-66-0.png)
3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-1,2,3-benzotriazin-4(3H)-one
TL;DR: 3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-1,2,3-benzotriazin-4(3H)-one (CAS 879762-66-0) is a chemical compound with molecular formula C16H21N5O2 and molecular weight 315.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-1,2,3-benzotriazin-4-one
Also Known As: 3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-1,2,3-benzotriazin-4(3H)-one, 3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-1,2,3-benzotriazin-4-one, 3-(4-(4-methylpiperazin-1-yl)-4-oxobutyl)benzo[d][1,2,3]triazin-4(3H)-one, 9-[4-(4-methylpiperazin-1-yl)-4-oxo-butyl]-7,8,9-triazabicyclo[4.4.0]deca-1,3,5,7-tetraen-10-one
| Molecular Formula | C16H21N5O2 |
|---|---|
| Molecular Weight | 315.17 g/mol |
| LogP | 0.3457 |
| Topological Polar Surface Area | 71.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.16953 |
| Heavy Atoms | 23 |
| Complexity | 749.4642 |
Chemical Identifiers
| CAS Number | 879762-66-0 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)CCCN2C(=O)C3=CC=CC=C3N=N2 |
Product Overview
3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-1,2,3-benzotriazin-4(3H)-one (CAS 879762-66-0), with molecular formula C16H21N5O2 and molecular weight 315.17 g/mol. IUPAC: 3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-1,2,3-benzotriazin-4-one.
Chemical Property Profile of 3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-1,2,3-benzotriazin-4(3H)-one
Property Insights of 3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-1,2,3-benzotriazin-4(3H)-one
The XLogP value of 0.3457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(4-methylpiperazin-1-yl)-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-methylpiperazin-1-yl)-4-oxobutyl]-1,2,3-benzotriazin-4(3H)-one. Following Lipinski's Rule of Five, 3-[4-(4-methylpiperazin-1-yl)-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-methylpiperazin-1-yl)-4-oxobutyl]-1,2,3-benzotriazin-4(3H)-one?
The CAS number of 3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-1,2,3-benzotriazin-4(3H)-one is 879762-66-0.
What is the molecular formula of 3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-1,2,3-benzotriazin-4(3H)-one?
The molecular formula of 3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-1,2,3-benzotriazin-4(3H)-one is C16H21N5O2.
What is the molecular weight of 3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-1,2,3-benzotriazin-4(3H)-one?
The molecular weight of 3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-1,2,3-benzotriazin-4(3H)-one is 315.17 g/mol.
Where can I buy 3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-1,2,3-benzotriazin-4(3H)-one?
You can request a quote for 3-[4-(4-methylpiperazin-1-yl)-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-methylpiperazin-1-yl)-4-oxobutyl]-1,2,3-benzotriazin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-1,2,3-benzotriazin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.