N-cycloheptyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
TL;DR: N-cycloheptyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (CAS 440331-68-0) is a chemical compound with molecular formula C17H22N4O2 and molecular weight 314.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cycloheptyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
Also Known As: N-cycloheptyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide, F0916-6855, N-cycloheptyl-3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanamide, N-cycloheptyl-3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamide, N-cycloheptyl-3-(10-oxo-7,8,9-triazabicyclo[4.4.0]deca-1,3,5,7-tetraen-9-yl)propanamide
| Molecular Formula | C17H22N4O2 |
|---|---|
| Molecular Weight | 314.17 g/mol |
| LogP | 2.0206 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.1743 |
| Heavy Atoms | 23 |
| Complexity | 732.6959 |
Chemical Identifiers
| CAS Number | 440331-68-0 |
|---|---|
| SMILES | C1CCCC(CC1)NC(=O)CCN2C(=O)C3=CC=CC=C3N=N2 |
Product Overview
N-cycloheptyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (CAS 440331-68-0), with molecular formula C17H22N4O2 and molecular weight 314.17 g/mol. IUPAC: N-cycloheptyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.
Chemical Property Profile of N-cycloheptyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
Property Insights of N-cycloheptyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
The XLogP value of 2.0206 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-cycloheptyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for N-cycloheptyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide. Following Lipinski's Rule of Five, N-cycloheptyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide has 1 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 N-cycloheptyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The CAS number of N-cycloheptyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is 440331-68-0.
What is the molecular formula of N-cycloheptyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The molecular formula of N-cycloheptyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is C17H22N4O2.
What is the molecular weight of N-cycloheptyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The molecular weight of N-cycloheptyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is 314.17 g/mol.
Where can I buy N-cycloheptyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
You can request a quote for N-cycloheptyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-cycloheptyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-cycloheptyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.