N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)acetohydrazide
TL;DR: N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)acetohydrazide (CAS 163557-54-8) is a chemical compound with molecular formula C13H17N3O and molecular weight 231.13716 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-(3,3-dimethyl-4H-isoquinolin-1-yl)acetohydrazide
Also Known As: N'-(3,3-dimethyl-4H-isoquinolin-1-yl)acetohydrazide, N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)acetohydrazide
Technical Specifications
| Molecular Formula | C13H17N3O |
| Molecular Weight | 231.13716 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 53.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.13716 Da |
| Heavy Atoms | 17 |
| Complexity | 336.0 |
| SMILES | CC(=O)NNC1=NC(CC2=CC=CC=C21)(C)C |
| InChIKey | JMEIHHZWFBCPKG-UHFFFAOYSA-N |
Chemical Property Profile of N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)acetohydrazide
Property Insights of N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)acetohydrazide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)acetohydrazide. With a topological polar surface area (TPSA) of 53.5 Ų, N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)acetohydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)acetohydrazide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)acetohydrazide?
The CAS number of N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)acetohydrazide is 163557-54-8.
What is the molecular formula of N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)acetohydrazide?
The molecular formula of N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)acetohydrazide is C13H17N3O.
What is the molecular weight of N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)acetohydrazide?
The molecular weight of N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)acetohydrazide is 231.13716 g/mol.
Where can I buy N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)acetohydrazide?
You can request a quote for N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)acetohydrazide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)acetohydrazide?
Yes, CoreyChem provides custom synthesis services for N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.