2-(methylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzamide
TL;DR: 2-(methylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzamide (CAS 899985-16-1) is a chemical compound with molecular formula C17H15N3O2S and molecular weight 325.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
Also Known As: VU0496640-1, F2758-0154, 2-(methylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzamide, 2-methylsulfanyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide, 2-(methylsulfanyl)-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzamide
| Molecular Formula | C17H15N3O2S |
|---|---|
| Molecular Weight | 325.09 g/mol |
| LogP | 2.575 |
| Topological Polar Surface Area | 74.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.0885 |
| Heavy Atoms | 23 |
| Complexity | 920.8556 |
Chemical Identifiers
| CAS Number | 899985-16-1 |
|---|---|
| SMILES | CSC1=CC=CC=C1C(=O)NCC2=NNC(=O)C3=CC=CC=C32 |
Product Overview
2-(methylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzamide (CAS 899985-16-1), with molecular formula C17H15N3O2S and molecular weight 325.09 g/mol. IUPAC: 2-methylsulfanyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide.
Chemical Property Profile of 2-(methylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzamide
Property Insights of 2-(methylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzamide
The XLogP value of 2.575 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(methylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzamide. The TPSA of 74.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(methylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzamide. Following Lipinski's Rule of Five, 2-(methylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzamide has 2 hydrogen bond donor(s) and 4 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-(methylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzamide?
The CAS number of 2-(methylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzamide is 899985-16-1.
What is the molecular formula of 2-(methylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzamide?
The molecular formula of 2-(methylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzamide is C17H15N3O2S.
What is the molecular weight of 2-(methylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzamide?
The molecular weight of 2-(methylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzamide is 325.09 g/mol.
Where can I buy 2-(methylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzamide?
You can request a quote for 2-(methylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(methylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(methylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.