5-(2-(4-chlorophenyl)-2-oxoethoxy)-2-methylisoquinolin-1(2H)-one
TL;DR: 5-(2-(4-chlorophenyl)-2-oxoethoxy)-2-methylisoquinolin-1(2H)-one (CAS 898457-19-7) is a chemical compound with molecular formula C18H14ClNO3 and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-chlorophenyl)-2-oxoethoxy]-2-methylisoquinolin-1-one
Also Known As: F2621-0121, 5-[(p-chlorobenzoyl)methoxy]-2-methyl-1(2H)-isoquinolinone, 5-[2-(4-chlorophenyl)-2-oxoethoxy]-2-methylisoquinolin-1-one, 5-(2-(4-chlorophenyl)-2-oxoethoxy)-2-methylisoquinolin-1(2H)-one
| Molecular Formula | C18H14ClNO3 |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 3.4536 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.06622 |
| Heavy Atoms | 23 |
| Complexity | 929.1447 |
Chemical Identifiers
| CAS Number | 898457-19-7 |
|---|---|
| SMILES | CN1C=CC2=C(C1=O)C=CC=C2OCC(=O)C3=CC=C(C=C3)Cl |
Product Overview
5-(2-(4-chlorophenyl)-2-oxoethoxy)-2-methylisoquinolin-1(2H)-one (CAS 898457-19-7), with molecular formula C18H14ClNO3 and molecular weight 327.07 g/mol. IUPAC: 5-[2-(4-chlorophenyl)-2-oxoethoxy]-2-methylisoquinolin-1-one.
Chemical Property Profile of 5-(2-(4-chlorophenyl)-2-oxoethoxy)-2-methylisoquinolin-1(2H)-one
Property Insights of 5-(2-(4-chlorophenyl)-2-oxoethoxy)-2-methylisoquinolin-1(2H)-one
The XLogP value of 3.4536 indicates that 5-(2-(4-chlorophenyl)-2-oxoethoxy)-2-methylisoquinolin-1(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, 5-(2-(4-chlorophenyl)-2-oxoethoxy)-2-methylisoquinolin-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-(4-chlorophenyl)-2-oxoethoxy)-2-methylisoquinolin-1(2H)-one has 0 hydrogen bond donor(s) and 3 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 5-(2-(4-chlorophenyl)-2-oxoethoxy)-2-methylisoquinolin-1(2H)-one?
The CAS number of 5-(2-(4-chlorophenyl)-2-oxoethoxy)-2-methylisoquinolin-1(2H)-one is 898457-19-7.
What is the molecular formula of 5-(2-(4-chlorophenyl)-2-oxoethoxy)-2-methylisoquinolin-1(2H)-one?
The molecular formula of 5-(2-(4-chlorophenyl)-2-oxoethoxy)-2-methylisoquinolin-1(2H)-one is C18H14ClNO3.
What is the molecular weight of 5-(2-(4-chlorophenyl)-2-oxoethoxy)-2-methylisoquinolin-1(2H)-one?
The molecular weight of 5-(2-(4-chlorophenyl)-2-oxoethoxy)-2-methylisoquinolin-1(2H)-one is 327.07 g/mol.
Where can I buy 5-(2-(4-chlorophenyl)-2-oxoethoxy)-2-methylisoquinolin-1(2H)-one?
You can request a quote for 5-(2-(4-chlorophenyl)-2-oxoethoxy)-2-methylisoquinolin-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-(4-chlorophenyl)-2-oxoethoxy)-2-methylisoquinolin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-(4-chlorophenyl)-2-oxoethoxy)-2-methylisoquinolin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.