1-(2,4-dichlorophenyl)-1,4-dihydroisoquinolin-3(2H)-one
TL;DR: 1-(2,4-dichlorophenyl)-1,4-dihydroisoquinolin-3(2H)-one (CAS 22990-11-0) is a chemical compound with molecular formula C15H11Cl2NO and molecular weight 291.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
Also Known As: Maybridge1_004068, 1-(2,4-dichlorophenyl)-1,4-dihydro-3(2H)-isoquinolinone, BAS 01057254, 1-(2,4-dichlorophenyl)-1,4-dihydroisoquinolin-3(2H)-one, 1-(2,4-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
| Molecular Formula | C15H11Cl2NO |
|---|---|
| Molecular Weight | 291.02 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 291.02176 |
| Heavy Atoms | 19 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 22990-11-0 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(NC1=O)C3=C(C=C(C=C3)Cl)Cl |
| InChIKey | NJIHDHXJLLDNCY-UHFFFAOYSA-N |
Product Overview
1-(2,4-dichlorophenyl)-1,4-dihydroisoquinolin-3(2H)-one (CAS 22990-11-0), with molecular formula C15H11Cl2NO and molecular weight 291.02 g/mol. IUPAC: 1-(2,4-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one.
Chemical Property Profile of 1-(2,4-dichlorophenyl)-1,4-dihydroisoquinolin-3(2H)-one
Property Insights of 1-(2,4-dichlorophenyl)-1,4-dihydroisoquinolin-3(2H)-one
The XLogP value of 3.7 indicates that 1-(2,4-dichlorophenyl)-1,4-dihydroisoquinolin-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 1-(2,4-dichlorophenyl)-1,4-dihydroisoquinolin-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,4-dichlorophenyl)-1,4-dihydroisoquinolin-3(2H)-one has 1 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 1-(2,4-dichlorophenyl)-1,4-dihydroisoquinolin-3(2H)-one?
The CAS number of 1-(2,4-dichlorophenyl)-1,4-dihydroisoquinolin-3(2H)-one is 22990-11-0.
What is the molecular formula of 1-(2,4-dichlorophenyl)-1,4-dihydroisoquinolin-3(2H)-one?
The molecular formula of 1-(2,4-dichlorophenyl)-1,4-dihydroisoquinolin-3(2H)-one is C15H11Cl2NO.
What is the molecular weight of 1-(2,4-dichlorophenyl)-1,4-dihydroisoquinolin-3(2H)-one?
The molecular weight of 1-(2,4-dichlorophenyl)-1,4-dihydroisoquinolin-3(2H)-one is 291.02 g/mol.
Where can I buy 1-(2,4-dichlorophenyl)-1,4-dihydroisoquinolin-3(2H)-one?
You can request a quote for 1-(2,4-dichlorophenyl)-1,4-dihydroisoquinolin-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-dichlorophenyl)-1,4-dihydroisoquinolin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-dichlorophenyl)-1,4-dihydroisoquinolin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.