![3-[6-(azepan-1-yl)-6-oxohexyl]-1,2,3-benzotriazin-4(3H)-one structure](/static/products/902/902011-33-0.png)
3-[6-(azepan-1-yl)-6-oxohexyl]-1,2,3-benzotriazin-4(3H)-one
TL;DR: 3-[6-(azepan-1-yl)-6-oxohexyl]-1,2,3-benzotriazin-4(3H)-one (CAS 902011-33-0) is a chemical compound with molecular formula C19H26N4O2 and molecular weight 342.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[6-(azepan-1-yl)-6-oxohexyl]-1,2,3-benzotriazin-4-one
Also Known As: 3-[6-(azepan-1-yl)-6-oxohexyl]-1,2,3-benzotriazin-4-one, 3-[6-(azepan-1-yl)-6-oxohexyl]-1,2,3-benzotriazin-4(3H)-one, 3-(6-(azepan-1-yl)-6-oxohexyl)benzo[d][1,2,3]triazin-4(3H)-one
| Molecular Formula | C19H26N4O2 |
|---|---|
| Molecular Weight | 342.21 g/mol |
| LogP | 2.7545 |
| Topological Polar Surface Area | 68.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.20557 |
| Heavy Atoms | 25 |
| Complexity | 763.3533 |
Chemical Identifiers
| CAS Number | 902011-33-0 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3N=N2 |
Product Overview
3-[6-(azepan-1-yl)-6-oxohexyl]-1,2,3-benzotriazin-4(3H)-one (CAS 902011-33-0), with molecular formula C19H26N4O2 and molecular weight 342.21 g/mol. IUPAC: 3-[6-(azepan-1-yl)-6-oxohexyl]-1,2,3-benzotriazin-4-one.
Chemical Property Profile of 3-[6-(azepan-1-yl)-6-oxohexyl]-1,2,3-benzotriazin-4(3H)-one
Property Insights of 3-[6-(azepan-1-yl)-6-oxohexyl]-1,2,3-benzotriazin-4(3H)-one
The XLogP value of 2.7545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[6-(azepan-1-yl)-6-oxohexyl]-1,2,3-benzotriazin-4(3H)-one. The TPSA of 68.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[6-(azepan-1-yl)-6-oxohexyl]-1,2,3-benzotriazin-4(3H)-one. Following Lipinski's Rule of Five, 3-[6-(azepan-1-yl)-6-oxohexyl]-1,2,3-benzotriazin-4(3H)-one has 0 hydrogen bond donor(s) and 4 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-[6-(azepan-1-yl)-6-oxohexyl]-1,2,3-benzotriazin-4(3H)-one?
The CAS number of 3-[6-(azepan-1-yl)-6-oxohexyl]-1,2,3-benzotriazin-4(3H)-one is 902011-33-0.
What is the molecular formula of 3-[6-(azepan-1-yl)-6-oxohexyl]-1,2,3-benzotriazin-4(3H)-one?
The molecular formula of 3-[6-(azepan-1-yl)-6-oxohexyl]-1,2,3-benzotriazin-4(3H)-one is C19H26N4O2.
What is the molecular weight of 3-[6-(azepan-1-yl)-6-oxohexyl]-1,2,3-benzotriazin-4(3H)-one?
The molecular weight of 3-[6-(azepan-1-yl)-6-oxohexyl]-1,2,3-benzotriazin-4(3H)-one is 342.21 g/mol.
Where can I buy 3-[6-(azepan-1-yl)-6-oxohexyl]-1,2,3-benzotriazin-4(3H)-one?
You can request a quote for 3-[6-(azepan-1-yl)-6-oxohexyl]-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-[6-(azepan-1-yl)-6-oxohexyl]-1,2,3-benzotriazin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[6-(azepan-1-yl)-6-oxohexyl]-1,2,3-benzotriazin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.