2-((4,6-dimethylpyrimidin-2-yl)thio)-N-(2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)acetamide
TL;DR: 2-((4,6-dimethylpyrimidin-2-yl)thio)-N-(2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)acetamide (CAS 840469-99-0) is a chemical compound with molecular formula C25H25N5O2S and molecular weight 459.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide
Also Known As: 2-((4,6-dimethylpyrimidin-2-yl)thio)-N-(2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)acetamide, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide, 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl]acetamide
| Molecular Formula | C25H25N5O2S |
|---|---|
| Molecular Weight | 459.17 g/mol |
| LogP | 3.72426 |
| Topological Polar Surface Area | 89.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.17288 |
| Heavy Atoms | 33 |
| Complexity | 1393.8295 |
Chemical Identifiers
| CAS Number | 840469-99-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CNC(=O)CSC4=NC(=CC(=N4)C)C |
Product Overview
2-((4,6-dimethylpyrimidin-2-yl)thio)-N-(2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)acetamide (CAS 840469-99-0), with molecular formula C25H25N5O2S and molecular weight 459.17 g/mol. IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide.
Chemical Property Profile of 2-((4,6-dimethylpyrimidin-2-yl)thio)-N-(2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)acetamide
Property Insights of 2-((4,6-dimethylpyrimidin-2-yl)thio)-N-(2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)acetamide
The XLogP value of 3.72426 indicates that 2-((4,6-dimethylpyrimidin-2-yl)thio)-N-(2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4,6-dimethylpyrimidin-2-yl)thio)-N-(2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)acetamide. Following Lipinski's Rule of Five, 2-((4,6-dimethylpyrimidin-2-yl)thio)-N-(2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)acetamide has 1 hydrogen bond donor(s) and 6 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 2-((4,6-dimethylpyrimidin-2-yl)thio)-N-(2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)acetamide?
The CAS number of 2-((4,6-dimethylpyrimidin-2-yl)thio)-N-(2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)acetamide is 840469-99-0.
What is the molecular formula of 2-((4,6-dimethylpyrimidin-2-yl)thio)-N-(2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)acetamide?
The molecular formula of 2-((4,6-dimethylpyrimidin-2-yl)thio)-N-(2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)acetamide is C25H25N5O2S.
What is the molecular weight of 2-((4,6-dimethylpyrimidin-2-yl)thio)-N-(2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)acetamide?
The molecular weight of 2-((4,6-dimethylpyrimidin-2-yl)thio)-N-(2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)acetamide is 459.17 g/mol.
Where can I buy 2-((4,6-dimethylpyrimidin-2-yl)thio)-N-(2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)acetamide?
You can request a quote for 2-((4,6-dimethylpyrimidin-2-yl)thio)-N-(2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4,6-dimethylpyrimidin-2-yl)thio)-N-(2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4,6-dimethylpyrimidin-2-yl)thio)-N-(2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.