N-(1,3-benzodioxol-5-ylmethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide (CAS 440331-16-8) is a chemical compound with molecular formula C19H18N4O4 and molecular weight 366.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
Also Known As: F0916-6813, N-(1,3-benzodioxol-5-ylmethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)butanamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butanamide
| Molecular Formula | C19H18N4O4 |
|---|---|
| Molecular Weight | 366.13 g/mol |
| LogP | 1.6168 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.1328 |
| Heavy Atoms | 27 |
| Complexity | 1047.3042 |
Chemical Identifiers
| CAS Number | 440331-16-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCN3C(=O)C4=CC=CC=C4N=N3 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide (CAS 440331-16-8), with molecular formula C19H18N4O4 and molecular weight 366.13 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
The XLogP value of 1.6168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide. The TPSA of 95.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-4-(4-oxo-1,2,3-benzotriazin-3-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-ylmethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide is 440331-16-8.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide is C19H18N4O4.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide is 366.13 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-4-(4-oxo-1,2,3-benzotriazin-3-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-ylmethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.