1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3(2H)-isoquinolinone
TL;DR: 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3(2H)-isoquinolinone (CAS 98788-26-2) is a chemical compound with molecular formula C17H16ClNO3 and molecular weight 317.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one
Also Known As: Maybridge1_004196, 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3(2H)-isoquinolinone, AP-263/11663620, 1-(4-chlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one, 1-(4-Chlorophenyl)-1,4-dihydro-6,7-dimethoxy-3(2h)-isoquinolinone
| Molecular Formula | C17H16ClNO3 |
|---|---|
| Molecular Weight | 317.08 g/mol |
| LogP | 3.1189 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.08188 |
| Heavy Atoms | 22 |
| Complexity | 712.5892 |
Chemical Identifiers
| CAS Number | 98788-26-2 |
|---|---|
| SMILES | COC1=C(C=C2C(NC(=O)CC2=C1)C3=CC=C(C=C3)Cl)OC |
Product Overview
1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3(2H)-isoquinolinone (CAS 98788-26-2), with molecular formula C17H16ClNO3 and molecular weight 317.08 g/mol. IUPAC: 1-(4-chlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one.
Chemical Property Profile of 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3(2H)-isoquinolinone
Property Insights of 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3(2H)-isoquinolinone
The XLogP value of 3.1189 indicates that 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3(2H)-isoquinolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3(2H)-isoquinolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3(2H)-isoquinolinone has 1 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 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3(2H)-isoquinolinone?
The CAS number of 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3(2H)-isoquinolinone is 98788-26-2.
What is the molecular formula of 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3(2H)-isoquinolinone?
The molecular formula of 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3(2H)-isoquinolinone is C17H16ClNO3.
What is the molecular weight of 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3(2H)-isoquinolinone?
The molecular weight of 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3(2H)-isoquinolinone is 317.08 g/mol.
Where can I buy 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3(2H)-isoquinolinone?
You can request a quote for 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3(2H)-isoquinolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3(2H)-isoquinolinone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydro-3(2H)-isoquinolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.