2-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylethanone
TL;DR: 2-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylethanone (CAS 5653-12-3) is a chemical compound with molecular formula C17H17NO and molecular weight 251.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylethanone
Also Known As: alpha-[(3,4-Dihydroquinolin)-1(2H)-yl]acetophenone, 2-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylethanone, 1-phenyl-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one, 2-(3,4-Dihydroquinolin-1(2H)-yl)-1-phenylethan-1-one
| Molecular Formula | C17H17NO |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.13101 |
| Heavy Atoms | 19 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 5653-12-3 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)CC(=O)C3=CC=CC=C3 |
| InChIKey | YXDGQXQPNSTFCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylethanone (CAS 5653-12-3), with molecular formula C17H17NO and molecular weight 251.13 g/mol. IUPAC: 2-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylethanone.
Chemical Property Profile of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylethanone
Property Insights of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylethanone
The XLogP value of 3.8 indicates that 2-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 2-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylethanone 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 2-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylethanone?
The CAS number of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylethanone is 5653-12-3.
What is the molecular formula of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylethanone?
The molecular formula of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylethanone is C17H17NO.
What is the molecular weight of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylethanone?
The molecular weight of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylethanone is 251.13 g/mol.
Where can I buy 2-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylethanone?
You can request a quote for 2-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.