2-(benzylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acetamide
TL;DR: 2-(benzylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acetamide (CAS 899952-19-3) is a chemical compound with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
Also Known As: VU0496617-1, 2-(benzylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acetamide, 2-benzylsulfanyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide, F2758-0105, 2-(benzylsulfanyl)-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]acetamide
| Molecular Formula | C18H17N3O2S |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 2.4727 |
| Topological Polar Surface Area | 74.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.10416 |
| Heavy Atoms | 24 |
| Complexity | 893.40936 |
Chemical Identifiers
| CAS Number | 899952-19-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCC(=O)NCC2=NNC(=O)C3=CC=CC=C32 |
Product Overview
2-(benzylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acetamide (CAS 899952-19-3), with molecular formula C18H17N3O2S and molecular weight 339.10 g/mol. IUPAC: 2-benzylsulfanyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide.
Chemical Property Profile of 2-(benzylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acetamide
Property Insights of 2-(benzylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acetamide
The XLogP value of 2.4727 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(benzylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acetamide. The TPSA of 74.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acetamide. Following Lipinski's Rule of Five, 2-(benzylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acetamide 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-(benzylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acetamide?
The CAS number of 2-(benzylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acetamide is 899952-19-3.
What is the molecular formula of 2-(benzylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acetamide?
The molecular formula of 2-(benzylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acetamide is C18H17N3O2S.
What is the molecular weight of 2-(benzylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acetamide?
The molecular weight of 2-(benzylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acetamide is 339.10 g/mol.
Where can I buy 2-(benzylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acetamide?
You can request a quote for 2-(benzylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylthio)-N-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.