2,2-Dichloro-1-(3,4-dihydroisoquinolin-2(1h)-yl)ethanone
TL;DR: 2,2-Dichloro-1-(3,4-dihydroisoquinolin-2(1h)-yl)ethanone (CAS 116146-14-6) is a chemical compound with molecular formula C11H11Cl2NO and molecular weight 243.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloro-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
Also Known As: NCIOpen2_005174, 2,2-dichloro-1-(3,4-dihydroisoquinolin-2(1h)-yl)ethanone, 2-dichloroacetyl-1,2,3,4-tetrahydro-isoquinoline, 1,2,3,4-Tetrahydro-2-(dichloroacetyl)isoquinoline, 2,2-dichloro-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
| Molecular Formula | C11H11Cl2NO |
|---|---|
| Molecular Weight | 243.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.02177 |
| Heavy Atoms | 15 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 116146-14-6 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)C(Cl)Cl |
| InChIKey | UGUAQTWXVMMYQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dichloro-1-(3,4-dihydroisoquinolin-2(1h)-yl)ethanone (CAS 116146-14-6), with molecular formula C11H11Cl2NO and molecular weight 243.02 g/mol. IUPAC: 2,2-dichloro-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone.
Chemical Property Profile of 2,2-Dichloro-1-(3,4-dihydroisoquinolin-2(1h)-yl)ethanone
Property Insights of 2,2-Dichloro-1-(3,4-dihydroisoquinolin-2(1h)-yl)ethanone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dichloro-1-(3,4-dihydroisoquinolin-2(1h)-yl)ethanone. With a topological polar surface area (TPSA) of 20.3 Ų, 2,2-Dichloro-1-(3,4-dihydroisoquinolin-2(1h)-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dichloro-1-(3,4-dihydroisoquinolin-2(1h)-yl)ethanone has 0 hydrogen bond donor(s) and 1 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 2,2-Dichloro-1-(3,4-dihydroisoquinolin-2(1h)-yl)ethanone?
The CAS number of 2,2-Dichloro-1-(3,4-dihydroisoquinolin-2(1h)-yl)ethanone is 116146-14-6.
What is the molecular formula of 2,2-Dichloro-1-(3,4-dihydroisoquinolin-2(1h)-yl)ethanone?
The molecular formula of 2,2-Dichloro-1-(3,4-dihydroisoquinolin-2(1h)-yl)ethanone is C11H11Cl2NO.
What is the molecular weight of 2,2-Dichloro-1-(3,4-dihydroisoquinolin-2(1h)-yl)ethanone?
The molecular weight of 2,2-Dichloro-1-(3,4-dihydroisoquinolin-2(1h)-yl)ethanone is 243.02 g/mol.
Where can I buy 2,2-Dichloro-1-(3,4-dihydroisoquinolin-2(1h)-yl)ethanone?
You can request a quote for 2,2-Dichloro-1-(3,4-dihydroisoquinolin-2(1h)-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dichloro-1-(3,4-dihydroisoquinolin-2(1h)-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dichloro-1-(3,4-dihydroisoquinolin-2(1h)-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.