![Ethyl 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate structure](/static/products/896/896327-94-9.png)
Ethyl 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate
TL;DR: Ethyl 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate (CAS 896327-94-9) 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.
ethyl 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate
Also Known As: F2543-0060, ethyl 4-[2-({4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)acetamido]benzoate, ethyl 4-(2-((4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamido)benzoate, ethyl 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate
| Molecular Formula | C18H16N4O4S |
|---|---|
| Molecular Weight | 384.09 g/mol |
| LogP | 1.997 |
| Topological Polar Surface Area | 102.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.08923 |
| Heavy Atoms | 27 |
| Complexity | 1033.461 |
Chemical Identifiers
| CAS Number | 896327-94-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)N3C=CC=CC3=N2 |
Product Overview
Ethyl 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate (CAS 896327-94-9), with molecular formula C18H16N4O4S and molecular weight 384.09 g/mol. IUPAC: ethyl 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate
Property Insights of Ethyl 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate
The XLogP value of 1.997 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate. The TPSA of 102.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate 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 Ethyl 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate?
The CAS number of Ethyl 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate is 896327-94-9.
What is the molecular formula of Ethyl 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate?
The molecular formula of Ethyl 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate is C18H16N4O4S.
What is the molecular weight of Ethyl 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate?
The molecular weight of Ethyl 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate is 384.09 g/mol.
Where can I buy Ethyl 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate?
You can request a quote for Ethyl 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[[2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.