![N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide structure](/static/products/896/896331-72-9.png)
N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (CAS 896331-72-9) is a chemical compound with molecular formula C18H16N4O4S and molecular weight 384.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide, 2-[(4-keto-8-methyl-pyrido[1,2-a][1,3,5]triazin-2-yl)thio]-N-piperonyl-acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-4-oxidanylidene-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-ethanamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[(8-methyl-4-oxo-2-pyrido[1,2-a][1,3,5]triazinyl)thio]acetamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((8-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamide
| Molecular Formula | C18H16N4O4S |
|---|---|
| Molecular Weight | 384.09 g/mol |
| LogP | 1.53512 |
| Topological Polar Surface Area | 94.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.08923 |
| Heavy Atoms | 27 |
| Complexity | 1082.635 |
Chemical Identifiers
| CAS Number | 896331-72-9 |
|---|---|
| SMILES | CC1=CC2=NC(=NC(=O)N2C=C1)SCC(=O)NCC3=CC4=C(C=C3)OCO4 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide (CAS 896331-72-9), with molecular formula C18H16N4O4S and molecular weight 384.09 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
The XLogP value of 1.53512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide. The TPSA of 94.82 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide 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-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is 896331-72-9.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is C18H16N4O4S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide is 384.09 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide 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)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.