3,3-Dimethyl-7-(methylethyl)-2,3,4-trihydroisoquinolin-1-one
TL;DR: 3,3-Dimethyl-7-(methylethyl)-2,3,4-trihydroisoquinolin-1-one (CAS 394652-72-3) is a chemical compound with molecular formula C14H19NO and molecular weight 217.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-7-propan-2-yl-2,4-dihydroisoquinolin-1-one
Also Known As: ChemDiv2_002480, 7-isopropyl-3,3-dimethyl-2,4-dihydroisoquinolin-1-one, 3,3-dimethyl-7-propan-2-yl-2,4-dihydroisoquinolin-1-one, A3302/0140288, 3,3-dimethyl-7-(methylethyl)-2,3,4-trihydroisoquinolin-1-one
| Molecular Formula | C14H19NO |
|---|---|
| Molecular Weight | 217.15 g/mol |
| LogP | 2.8745 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.14667 |
| Heavy Atoms | 16 |
| Complexity | 432.3615 |
Chemical Identifiers
| CAS Number | 394652-72-3 |
|---|---|
| SMILES | CC(C)C1=CC2=C(CC(NC2=O)(C)C)C=C1 |
Product Overview
3,3-Dimethyl-7-(methylethyl)-2,3,4-trihydroisoquinolin-1-one (CAS 394652-72-3), with molecular formula C14H19NO and molecular weight 217.15 g/mol. IUPAC: 3,3-dimethyl-7-propan-2-yl-2,4-dihydroisoquinolin-1-one.
Chemical Property Profile of 3,3-Dimethyl-7-(methylethyl)-2,3,4-trihydroisoquinolin-1-one
Property Insights of 3,3-Dimethyl-7-(methylethyl)-2,3,4-trihydroisoquinolin-1-one
The XLogP value of 2.8745 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-7-(methylethyl)-2,3,4-trihydroisoquinolin-1-one. With a topological polar surface area (TPSA) of 29.1 Ų, 3,3-Dimethyl-7-(methylethyl)-2,3,4-trihydroisoquinolin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-7-(methylethyl)-2,3,4-trihydroisoquinolin-1-one has 1 hydrogen bond donor(s) and 1 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 3,3-Dimethyl-7-(methylethyl)-2,3,4-trihydroisoquinolin-1-one?
The CAS number of 3,3-Dimethyl-7-(methylethyl)-2,3,4-trihydroisoquinolin-1-one is 394652-72-3.
What is the molecular formula of 3,3-Dimethyl-7-(methylethyl)-2,3,4-trihydroisoquinolin-1-one?
The molecular formula of 3,3-Dimethyl-7-(methylethyl)-2,3,4-trihydroisoquinolin-1-one is C14H19NO.
What is the molecular weight of 3,3-Dimethyl-7-(methylethyl)-2,3,4-trihydroisoquinolin-1-one?
The molecular weight of 3,3-Dimethyl-7-(methylethyl)-2,3,4-trihydroisoquinolin-1-one is 217.15 g/mol.
Where can I buy 3,3-Dimethyl-7-(methylethyl)-2,3,4-trihydroisoquinolin-1-one?
You can request a quote for 3,3-Dimethyl-7-(methylethyl)-2,3,4-trihydroisoquinolin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-7-(methylethyl)-2,3,4-trihydroisoquinolin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-7-(methylethyl)-2,3,4-trihydroisoquinolin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.