N-(2H-1,3-benzodioxol-5-yl)(6-chloro-4-oxo-1,3,4a-triaza-4H-naphth-2-ylthio)acetamide
TL;DR: N-(2H-1,3-benzodioxol-5-yl)(6-chloro-4-oxo-1,3,4a-triaza-4H-naphth-2-ylthio)acetamide (CAS 896325-72-7) is a chemical compound with molecular formula C16H11ClN4O4S and molecular weight 390.02 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-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
Also Known As: N-(2H-1,3-benzodioxol-5-yl)(6-chloro-4-oxo-1,3,4a-triaza-4H-naphth-2-ylthio)acetamide, N-(1,3-benzodioxol-5-yl)-2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide, N-(benzo[d][1,3]dioxol-5-yl)-2-((7-chloro-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamide
| Molecular Formula | C16H11ClN4O4S |
|---|---|
| Molecular Weight | 390.02 g/mol |
| LogP | 2.2024 |
| Topological Polar Surface Area | 94.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.01895 |
| Heavy Atoms | 26 |
| Complexity | 1071.7893 |
Chemical Identifiers
| CAS Number | 896325-72-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC(=O)N4C=C(C=CC4=N3)Cl |
Product Overview
N-(2H-1,3-benzodioxol-5-yl)(6-chloro-4-oxo-1,3,4a-triaza-4H-naphth-2-ylthio)acetamide (CAS 896325-72-7), with molecular formula C16H11ClN4O4S and molecular weight 390.02 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.
Chemical Property Profile of N-(2H-1,3-benzodioxol-5-yl)(6-chloro-4-oxo-1,3,4a-triaza-4H-naphth-2-ylthio)acetamide
Property Insights of N-(2H-1,3-benzodioxol-5-yl)(6-chloro-4-oxo-1,3,4a-triaza-4H-naphth-2-ylthio)acetamide
The XLogP value of 2.2024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2H-1,3-benzodioxol-5-yl)(6-chloro-4-oxo-1,3,4a-triaza-4H-naphth-2-ylthio)acetamide. The TPSA of 94.82 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2H-1,3-benzodioxol-5-yl)(6-chloro-4-oxo-1,3,4a-triaza-4H-naphth-2-ylthio)acetamide. Following Lipinski's Rule of Five, N-(2H-1,3-benzodioxol-5-yl)(6-chloro-4-oxo-1,3,4a-triaza-4H-naphth-2-ylthio)acetamide has 1 hydrogen bond donor(s) and 7 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-(2H-1,3-benzodioxol-5-yl)(6-chloro-4-oxo-1,3,4a-triaza-4H-naphth-2-ylthio)acetamide?
The CAS number of N-(2H-1,3-benzodioxol-5-yl)(6-chloro-4-oxo-1,3,4a-triaza-4H-naphth-2-ylthio)acetamide is 896325-72-7.
What is the molecular formula of N-(2H-1,3-benzodioxol-5-yl)(6-chloro-4-oxo-1,3,4a-triaza-4H-naphth-2-ylthio)acetamide?
The molecular formula of N-(2H-1,3-benzodioxol-5-yl)(6-chloro-4-oxo-1,3,4a-triaza-4H-naphth-2-ylthio)acetamide is C16H11ClN4O4S.
What is the molecular weight of N-(2H-1,3-benzodioxol-5-yl)(6-chloro-4-oxo-1,3,4a-triaza-4H-naphth-2-ylthio)acetamide?
The molecular weight of N-(2H-1,3-benzodioxol-5-yl)(6-chloro-4-oxo-1,3,4a-triaza-4H-naphth-2-ylthio)acetamide is 390.02 g/mol.
Where can I buy N-(2H-1,3-benzodioxol-5-yl)(6-chloro-4-oxo-1,3,4a-triaza-4H-naphth-2-ylthio)acetamide?
You can request a quote for N-(2H-1,3-benzodioxol-5-yl)(6-chloro-4-oxo-1,3,4a-triaza-4H-naphth-2-ylthio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2H-1,3-benzodioxol-5-yl)(6-chloro-4-oxo-1,3,4a-triaza-4H-naphth-2-ylthio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2H-1,3-benzodioxol-5-yl)(6-chloro-4-oxo-1,3,4a-triaza-4H-naphth-2-ylthio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.