3-(2-morpholinoethyl)-1,2,3-benzotriazin-4(3H)-one
TL;DR: 3-(2-morpholinoethyl)-1,2,3-benzotriazin-4(3H)-one (CAS 854161-41-4) is a chemical compound with molecular formula C13H16N4O2 and molecular weight 260.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-morpholin-4-ylethyl)-1,2,3-benzotriazin-4-one
Also Known As: 3-(2-morpholinoethyl)-1,2,3-benzotriazin-4(3H)-one, 3-(2-morpholin-4-ylethyl)-1,2,3-benzotriazin-4-one, 3-[2-(morpholin-4-yl)ethyl]-3,4-dihydro-1,2,3-benzotriazin-4-one, 3-[2-(morpholin-4-yl)ethyl]-1,2,3-benzotriazin-4-one, 9-(2-morpholin-4-ylethyl)-7,8,9-triazabicyclo[4.4.0]deca-1,3,5,7-tetraen-10-one
| Molecular Formula | C13H16N4O2 |
|---|---|
| Molecular Weight | 260.13 g/mol |
| LogP | 0.1237 |
| Topological Polar Surface Area | 60.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.12732 |
| Heavy Atoms | 19 |
| Complexity | 619.31445 |
Chemical Identifiers
| CAS Number | 854161-41-4 |
|---|---|
| SMILES | C1COCCN1CCN2C(=O)C3=CC=CC=C3N=N2 |
Product Overview
3-(2-morpholinoethyl)-1,2,3-benzotriazin-4(3H)-one (CAS 854161-41-4), with molecular formula C13H16N4O2 and molecular weight 260.13 g/mol. IUPAC: 3-(2-morpholin-4-ylethyl)-1,2,3-benzotriazin-4-one.
Chemical Property Profile of 3-(2-morpholinoethyl)-1,2,3-benzotriazin-4(3H)-one
Property Insights of 3-(2-morpholinoethyl)-1,2,3-benzotriazin-4(3H)-one
The XLogP value of 0.1237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-morpholinoethyl)-1,2,3-benzotriazin-4(3H)-one. The TPSA of 60.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-morpholinoethyl)-1,2,3-benzotriazin-4(3H)-one. Following Lipinski's Rule of Five, 3-(2-morpholinoethyl)-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-(2-morpholinoethyl)-1,2,3-benzotriazin-4(3H)-one?
The CAS number of 3-(2-morpholinoethyl)-1,2,3-benzotriazin-4(3H)-one is 854161-41-4.
What is the molecular formula of 3-(2-morpholinoethyl)-1,2,3-benzotriazin-4(3H)-one?
The molecular formula of 3-(2-morpholinoethyl)-1,2,3-benzotriazin-4(3H)-one is C13H16N4O2.
What is the molecular weight of 3-(2-morpholinoethyl)-1,2,3-benzotriazin-4(3H)-one?
The molecular weight of 3-(2-morpholinoethyl)-1,2,3-benzotriazin-4(3H)-one is 260.13 g/mol.
Where can I buy 3-(2-morpholinoethyl)-1,2,3-benzotriazin-4(3H)-one?
You can request a quote for 3-(2-morpholinoethyl)-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-(2-morpholinoethyl)-1,2,3-benzotriazin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-morpholinoethyl)-1,2,3-benzotriazin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.