4-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one
TL;DR: 4-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one (CAS 937174-76-0) is a chemical compound with molecular formula C18H26N2O2 and molecular weight 302.19943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one
Also Known As: PARP Inhibitor III, DPQ, 3,4-Dihydro-5[4-(1-piperindinyl)butoxy]-1(2H)-isoquinoline, 4-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one, 4-[4-(1-piperidyl)butoxy]-3,4-dihydro-2H-isoquinolin-1-one, 4-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2h)-one
Technical Specifications
| Molecular Formula | C18H26N2O2 |
| Molecular Weight | 302.19943 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.19943 Da |
| Heavy Atoms | 22 |
| Complexity | 355.0 |
| SMILES | C1CCN(CC1)CCCCOC2CNC(=O)C3=CC=CC=C23 |
| InChIKey | SNXXMVHAWWHIFJ-UHFFFAOYSA-N |
Product Description
Applications: 4-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
4-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one is a fine chemical identified by CAS number 937174-76-0 and the molecular formula C18H26N2O2 and a molecular weight of 302.2 g/mol. Synonyms include PARP Inhibitor III, DPQ and IN1487.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one
Property Insights of 4-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one. With a topological polar surface area (TPSA) of 41.6 Ų, 4-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one has 1 hydrogen bond donor(s) and 3 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-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one?
The CAS number of 4-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one is 937174-76-0.
What is the molecular formula of 4-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one?
The molecular formula of 4-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one is C18H26N2O2.
What is the molecular weight of 4-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one?
The molecular weight of 4-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one is 302.19943 g/mol.
What are the applications of 4-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one?
4-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full...
Where can I buy 4-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one?
You can request a quote for 4-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one?
Yes, CoreyChem provides custom synthesis services for 4-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.