(2S)-N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
TL;DR: (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide (CAS 1173676-60-2) is a chemical compound with molecular formula C17H14N4O4 and molecular weight 338.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
Also Known As: (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide, (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide, (S)-N-(benzo[d][1,3]dioxol-5-yl)-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamide
| Molecular Formula | C17H14N4O4 |
|---|---|
| Molecular Weight | 338.10 g/mol |
| LogP | 1.7199 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.1015 |
| Heavy Atoms | 25 |
| Complexity | 1030.5768 |
Chemical Identifiers
| CAS Number | 1173676-60-2 |
|---|---|
| SMILES | C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)N3C(=O)C4=CC=CC=C4N=N3 |
Product Overview
(2S)-N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide (CAS 1173676-60-2), with molecular formula C17H14N4O4 and molecular weight 338.10 g/mol. IUPAC: (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.
Chemical Property Profile of (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Property Insights of (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
The XLogP value of 1.7199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide. The TPSA of 95.34 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide. Following Lipinski's Rule of Five, (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide 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 (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide?
The CAS number of (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide is 1173676-60-2.
What is the molecular formula of (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide?
The molecular formula of (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide is C17H14N4O4.
What is the molecular weight of (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide?
The molecular weight of (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide is 338.10 g/mol.
Where can I buy (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide?
You can request a quote for (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for (2S)-N-(1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.