1-Azepan-1-yl-2-(3,3-dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-ethanone
TL;DR: 1-Azepan-1-yl-2-(3,3-dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-ethanone (CAS 1164505-48-9) is a chemical compound with molecular formula C19H27ClN2O and molecular weight 334.18118 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z)-1-(azepan-1-yl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone;hydrochloride
Also Known As: 1-azaperhydroepinyl-2-(3,3-dimethyl(2,3,4-trihydroisoquinolylidene))ethan-1-on e, chloride, 1-Azepan-1-yl-2-(3,3-dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-ethanone, (Z)-1-(azepan-1-yl)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)ethanone hydrochloride
Technical Specifications
| Molecular Formula | C19H27ClN2O |
| Molecular Weight | 334.18118 g/mol |
| XLogP | 3.7762 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 334.18118 Da |
| Heavy Atoms | 23 |
| Complexity | 433.0 |
| SMILES | CC1(CC2=CC=CC=C2/C(=C/C(=O)N3CCCCCC3)/N1)C.Cl |
| InChIKey | MNFJKUATIMDFKM-VSORCOHTSA-N |
Chemical Property Profile of 1-Azepan-1-yl-2-(3,3-dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-ethanone
Property Insights of 1-Azepan-1-yl-2-(3,3-dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-ethanone
The XLogP value of 3.7762 indicates that 1-Azepan-1-yl-2-(3,3-dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, 1-Azepan-1-yl-2-(3,3-dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azepan-1-yl-2-(3,3-dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-ethanone 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 1-Azepan-1-yl-2-(3,3-dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-ethanone?
The CAS number of 1-Azepan-1-yl-2-(3,3-dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-ethanone is 1164505-48-9.
What is the molecular formula of 1-Azepan-1-yl-2-(3,3-dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-ethanone?
The molecular formula of 1-Azepan-1-yl-2-(3,3-dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-ethanone is C19H27ClN2O.
What is the molecular weight of 1-Azepan-1-yl-2-(3,3-dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-ethanone?
The molecular weight of 1-Azepan-1-yl-2-(3,3-dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-ethanone is 334.18118 g/mol.
Where can I buy 1-Azepan-1-yl-2-(3,3-dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-ethanone?
You can request a quote for 1-Azepan-1-yl-2-(3,3-dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Azepan-1-yl-2-(3,3-dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-ethanone?
Yes, CoreyChem provides custom synthesis services for 1-Azepan-1-yl-2-(3,3-dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.