N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
TL;DR: N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide (CAS 900896-56-2) is a chemical compound with molecular formula C18H16N4O4 and molecular weight 352.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
Also Known As: EiM07-17975, N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide, N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide, N-(benzo[d][1,3]dioxol-5-yl)-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)butanamide, N-(2H-1,3-BENZODIOXOL-5-YL)-2-(4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZIN-3-YL)BUTANAMIDE
| Molecular Formula | C18H16N4O4 |
|---|---|
| Molecular Weight | 352.12 g/mol |
| LogP | 2.11 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.11716 |
| Heavy Atoms | 26 |
| Complexity | 1046.7856 |
Chemical Identifiers
| CAS Number | 900896-56-2 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC2=C(C=C1)OCO2)N3C(=O)C4=CC=CC=C4N=N3 |
Product Overview
N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide (CAS 900896-56-2), with molecular formula C18H16N4O4 and molecular weight 352.12 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Property Insights of N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
The XLogP value of 2.11 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide. The TPSA of 95.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide has 1 hydrogen bond donor(s) and 6 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-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide is 900896-56-2.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide is C18H16N4O4.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide is 352.12 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.