2-(3,3-Dimethyl(3,4-dihydroisoquinolyl))-4-methylpentanamide
TL;DR: 2-(3,3-Dimethyl(3,4-dihydroisoquinolyl))-4-methylpentanamide (CAS 5753-43-5) is a chemical compound with molecular formula C17H24N2O and molecular weight 272.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,3-dimethyl-4H-isoquinolin-1-yl)-4-methylpentanamide
Also Known As: TimTec1_000648, 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-4-methylpentanamide, 2-(3,3-dimethyl(3,4-dihydroisoquinolyl))-4-methylpentanamide, 2-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-4-methylpentanamide
| Molecular Formula | C17H24N2O |
|---|---|
| Molecular Weight | 272.19 g/mol |
| LogP | 2.958 |
| Topological Polar Surface Area | 55.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.18887 |
| Heavy Atoms | 20 |
| Complexity | 543.6759 |
Chemical Identifiers
| CAS Number | 5753-43-5 |
|---|---|
| SMILES | CC(C)CC(C1=NC(CC2=CC=CC=C21)(C)C)C(=O)N |
Product Overview
2-(3,3-Dimethyl(3,4-dihydroisoquinolyl))-4-methylpentanamide (CAS 5753-43-5), with molecular formula C17H24N2O and molecular weight 272.19 g/mol. IUPAC: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-4-methylpentanamide.
Chemical Property Profile of 2-(3,3-Dimethyl(3,4-dihydroisoquinolyl))-4-methylpentanamide
Property Insights of 2-(3,3-Dimethyl(3,4-dihydroisoquinolyl))-4-methylpentanamide
The XLogP value of 2.958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,3-Dimethyl(3,4-dihydroisoquinolyl))-4-methylpentanamide. With a topological polar surface area (TPSA) of 55.45 Ų, 2-(3,3-Dimethyl(3,4-dihydroisoquinolyl))-4-methylpentanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,3-Dimethyl(3,4-dihydroisoquinolyl))-4-methylpentanamide has 1 hydrogen bond donor(s) and 2 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-(3,3-Dimethyl(3,4-dihydroisoquinolyl))-4-methylpentanamide?
The CAS number of 2-(3,3-Dimethyl(3,4-dihydroisoquinolyl))-4-methylpentanamide is 5753-43-5.
What is the molecular formula of 2-(3,3-Dimethyl(3,4-dihydroisoquinolyl))-4-methylpentanamide?
The molecular formula of 2-(3,3-Dimethyl(3,4-dihydroisoquinolyl))-4-methylpentanamide is C17H24N2O.
What is the molecular weight of 2-(3,3-Dimethyl(3,4-dihydroisoquinolyl))-4-methylpentanamide?
The molecular weight of 2-(3,3-Dimethyl(3,4-dihydroisoquinolyl))-4-methylpentanamide is 272.19 g/mol.
Where can I buy 2-(3,3-Dimethyl(3,4-dihydroisoquinolyl))-4-methylpentanamide?
You can request a quote for 2-(3,3-Dimethyl(3,4-dihydroisoquinolyl))-4-methylpentanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,3-Dimethyl(3,4-dihydroisoquinolyl))-4-methylpentanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,3-Dimethyl(3,4-dihydroisoquinolyl))-4-methylpentanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.