![4-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)butan-2-one structure](/static/products/1306/130687-89-7.webp)
4-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)butan-2-one
TL;DR: 4-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)butan-2-one (CAS 130687-89-7) is a chemical compound with molecular formula C19H27NO3 and molecular weight 317.1991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)butan-2-one
Also Known As: 4-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)butan-2-one, 4-(6',7'-dimethoxy-1'H-spiro[cyclopentane-1,4'-isoquinolin]-2'(3'H)-yl)butan-2-one
Technical Specifications
| Molecular Formula | C19H27NO3 |
| Molecular Weight | 317.1991 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.1991 Da |
| Heavy Atoms | 23 |
| Complexity | 419.0 |
| SMILES | CC(=O)CCN1CC2=CC(=C(C=C2C3(C1)CCCC3)OC)OC |
| InChIKey | GANVJNMCMGNOQQ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)butan-2-one
Property Insights of 4-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)butan-2-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)butan-2-one. With a topological polar surface area (TPSA) of 38.8 Ų, 4-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)butan-2-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)butan-2-one?
The CAS number of 4-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)butan-2-one is 130687-89-7.
What is the molecular formula of 4-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)butan-2-one?
The molecular formula of 4-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)butan-2-one is C19H27NO3.
What is the molecular weight of 4-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)butan-2-one?
The molecular weight of 4-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)butan-2-one is 317.1991 g/mol.
Where can I buy 4-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)butan-2-one?
You can request a quote for 4-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)butan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)butan-2-one?
Yes, CoreyChem provides custom synthesis services for 4-(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopentane]-2-yl)butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.