![ethyl 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate structure](/static/products/896/896341-52-9.png)
ethyl 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate
TL;DR: ethyl 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate (CAS 896341-52-9) is a chemical compound with molecular formula C19H18N4O4S and molecular weight 398.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate
Also Known As: ethyl 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate, ethyl 4-[2-({9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)acetamido]benzoate, ethyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamido)benzoate, 4-[[2-[(4-keto-9-methyl-pyrido[1,2-a][1,3,5]triazin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester, 4-[[2-[(9-methyl-4-oxo-2-pyrido[1,2-a][1,3,5]triazinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester
| Molecular Formula | C19H18N4O4S |
|---|---|
| Molecular Weight | 398.10 g/mol |
| LogP | 2.30542 |
| Topological Polar Surface Area | 102.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.1049 |
| Heavy Atoms | 28 |
| Complexity | 1079.479 |
Chemical Identifiers
| CAS Number | 896341-52-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)N3C=CC=C(C3=N2)C |
Product Overview
ethyl 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate (CAS 896341-52-9), with molecular formula C19H18N4O4S and molecular weight 398.10 g/mol. IUPAC: ethyl 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate
Property Insights of ethyl 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate
The XLogP value of 2.30542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[[2-(9-methyl-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-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate. Following Lipinski's Rule of Five, ethyl 4-[[2-(9-methyl-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-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate?
The CAS number of ethyl 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate is 896341-52-9.
What is the molecular formula of ethyl 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate?
The molecular formula of ethyl 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate is C19H18N4O4S.
What is the molecular weight of ethyl 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate?
The molecular weight of ethyl 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate is 398.10 g/mol.
Where can I buy ethyl 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate?
You can request a quote for ethyl 4-[[2-(9-methyl-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-(9-methyl-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-(9-methyl-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.