![methyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamido)benzoate structure](/static/products/896/896341-59-6.png)
methyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamido)benzoate
TL;DR: methyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamido)benzoate (CAS 896341-59-6) 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.
methyl 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate
Also Known As: methyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamido)benzoate, methyl 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate, methyl 4-[2-({9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)acetamido]benzoate
| Molecular Formula | C18H16N4O4S |
|---|---|
| Molecular Weight | 384.09 g/mol |
| LogP | 1.91532 |
| Topological Polar Surface Area | 102.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.08923 |
| Heavy Atoms | 27 |
| Complexity | 1063.1399 |
Chemical Identifiers
| CAS Number | 896341-59-6 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=NC2=O)SCC(=O)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
methyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamido)benzoate (CAS 896341-59-6), with molecular formula C18H16N4O4S and molecular weight 384.09 g/mol. IUPAC: methyl 4-[[2-(9-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of methyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamido)benzoate
Property Insights of methyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamido)benzoate
The XLogP value of 1.91532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamido)benzoate. The TPSA of 102.66 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamido)benzoate. Following Lipinski's Rule of Five, methyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamido)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 methyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamido)benzoate?
The CAS number of methyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamido)benzoate is 896341-59-6.
What is the molecular formula of methyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamido)benzoate?
The molecular formula of methyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamido)benzoate is C18H16N4O4S.
What is the molecular weight of methyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamido)benzoate?
The molecular weight of methyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamido)benzoate is 384.09 g/mol.
Where can I buy methyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamido)benzoate?
You can request a quote for methyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(2-((9-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.