4,4-Bis(4-chlorophenyl)-1,2,4-trihydroisoquinolin-3-one
TL;DR: 4,4-Bis(4-chlorophenyl)-1,2,4-trihydroisoquinolin-3-one (CAS 61308-66-5) is a chemical compound with molecular formula C21H15Cl2NO and molecular weight 367.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-bis(4-chlorophenyl)-1,2-dihydroisoquinolin-3-one
Also Known As: 3-p-Tolyl-tetrahydro-1,3-oxazin-2-on, 4,4-bis(4-chlorophenyl)-1,2-dihydroisoquinolin-3-one, 4,4-bis(4-chlorophenyl)-1,2,4-trihydroisoquinolin-3-one, 4,4-Bis(4-chlorophenyl)-1,4-dihydroisoquinolin-3(2H)-one, 3(2H)-Isoquinolinone, 4,4-bis(4-chlorophenyl)-1,4-dihydro-
| Molecular Formula | C21H15Cl2NO |
|---|---|
| Molecular Weight | 367.05 g/mol |
| LogP | 4.9576 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 367.05307 |
| Heavy Atoms | 25 |
| Complexity | 887.3697 |
Chemical Identifiers
| CAS Number | 61308-66-5 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(C(=O)N1)(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl |
Product Overview
4,4-Bis(4-chlorophenyl)-1,2,4-trihydroisoquinolin-3-one (CAS 61308-66-5), with molecular formula C21H15Cl2NO and molecular weight 367.05 g/mol. IUPAC: 4,4-bis(4-chlorophenyl)-1,2-dihydroisoquinolin-3-one.
Chemical Property Profile of 4,4-Bis(4-chlorophenyl)-1,2,4-trihydroisoquinolin-3-one
Property Insights of 4,4-Bis(4-chlorophenyl)-1,2,4-trihydroisoquinolin-3-one
The XLogP value of 4.9576 indicates that 4,4-Bis(4-chlorophenyl)-1,2,4-trihydroisoquinolin-3-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, 4,4-Bis(4-chlorophenyl)-1,2,4-trihydroisoquinolin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Bis(4-chlorophenyl)-1,2,4-trihydroisoquinolin-3-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 4,4-Bis(4-chlorophenyl)-1,2,4-trihydroisoquinolin-3-one?
The CAS number of 4,4-Bis(4-chlorophenyl)-1,2,4-trihydroisoquinolin-3-one is 61308-66-5.
What is the molecular formula of 4,4-Bis(4-chlorophenyl)-1,2,4-trihydroisoquinolin-3-one?
The molecular formula of 4,4-Bis(4-chlorophenyl)-1,2,4-trihydroisoquinolin-3-one is C21H15Cl2NO.
What is the molecular weight of 4,4-Bis(4-chlorophenyl)-1,2,4-trihydroisoquinolin-3-one?
The molecular weight of 4,4-Bis(4-chlorophenyl)-1,2,4-trihydroisoquinolin-3-one is 367.05 g/mol.
Where can I buy 4,4-Bis(4-chlorophenyl)-1,2,4-trihydroisoquinolin-3-one?
You can request a quote for 4,4-Bis(4-chlorophenyl)-1,2,4-trihydroisoquinolin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Bis(4-chlorophenyl)-1,2,4-trihydroisoquinolin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Bis(4-chlorophenyl)-1,2,4-trihydroisoquinolin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.