1-(azepan-1-yl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethanone Hydrochloride
TL;DR: 1-(azepan-1-yl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethanone Hydrochloride (CAS 1227711-63-8) is a chemical compound with molecular formula C19H27ClN2O and molecular weight 334.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethanone;hydrochloride
Also Known As: 1-(azepan-1-yl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethanone Hydrochloride, 1-(azepan-1-yl)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)ethanone hydrochloride
| Molecular Formula | C19H27ClN2O |
|---|---|
| Molecular Weight | 334.18 g/mol |
| LogP | 4.0249 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.18118 |
| Heavy Atoms | 23 |
| Complexity | 586.78735 |
Chemical Identifiers
| CAS Number | 1227711-63-8 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C(=N1)CC(=O)N3CCCCCC3)C.Cl |
Product Overview
1-(azepan-1-yl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethanone Hydrochloride (CAS 1227711-63-8), with molecular formula C19H27ClN2O and molecular weight 334.18 g/mol. IUPAC: 1-(azepan-1-yl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethanone;hydrochloride.
Chemical Property Profile of 1-(azepan-1-yl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethanone Hydrochloride
Property Insights of 1-(azepan-1-yl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethanone Hydrochloride
The XLogP value of 4.0249 indicates that 1-(azepan-1-yl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethanone Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, 1-(azepan-1-yl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethanone Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(azepan-1-yl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethanone Hydrochloride has 0 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 1-(azepan-1-yl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethanone Hydrochloride?
The CAS number of 1-(azepan-1-yl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethanone Hydrochloride is 1227711-63-8.
What is the molecular formula of 1-(azepan-1-yl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethanone Hydrochloride?
The molecular formula of 1-(azepan-1-yl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethanone Hydrochloride is C19H27ClN2O.
What is the molecular weight of 1-(azepan-1-yl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethanone Hydrochloride?
The molecular weight of 1-(azepan-1-yl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethanone Hydrochloride is 334.18 g/mol.
Where can I buy 1-(azepan-1-yl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethanone Hydrochloride?
You can request a quote for 1-(azepan-1-yl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethanone Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(azepan-1-yl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethanone Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(azepan-1-yl)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethanone Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.