1-(2-chlorophenyl)-1,4-dihydro-3(2H)-isoquinolinone
TL;DR: 1-(2-chlorophenyl)-1,4-dihydro-3(2H)-isoquinolinone (CAS 98788-13-7) is a chemical compound with molecular formula C15H12ClNO and molecular weight 257.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
Also Known As: Maybridge1_004112, BAS 01057245, 1-(2-chlorophenyl)-1,4-dihydro-3(2H)-isoquinolinone, 1-(2-chlorophenyl)-1,4-dihydroisoquinolin-3(2H)-one, 1-(2-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
| Molecular Formula | C15H12ClNO |
|---|---|
| Molecular Weight | 257.06 g/mol |
| LogP | 3.1017 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.06073 |
| Heavy Atoms | 18 |
| Complexity | 608.9475 |
Chemical Identifiers
| CAS Number | 98788-13-7 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(NC1=O)C3=CC=CC=C3Cl |
Product Overview
1-(2-chlorophenyl)-1,4-dihydro-3(2H)-isoquinolinone (CAS 98788-13-7), with molecular formula C15H12ClNO and molecular weight 257.06 g/mol. IUPAC: 1-(2-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one.
Chemical Property Profile of 1-(2-chlorophenyl)-1,4-dihydro-3(2H)-isoquinolinone
Property Insights of 1-(2-chlorophenyl)-1,4-dihydro-3(2H)-isoquinolinone
The XLogP value of 3.1017 indicates that 1-(2-chlorophenyl)-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 29.1 Ų, 1-(2-chlorophenyl)-1,4-dihydro-3(2H)-isoquinolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-chlorophenyl)-1,4-dihydro-3(2H)-isoquinolinone 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-chlorophenyl)-1,4-dihydro-3(2H)-isoquinolinone?
The CAS number of 1-(2-chlorophenyl)-1,4-dihydro-3(2H)-isoquinolinone is 98788-13-7.
What is the molecular formula of 1-(2-chlorophenyl)-1,4-dihydro-3(2H)-isoquinolinone?
The molecular formula of 1-(2-chlorophenyl)-1,4-dihydro-3(2H)-isoquinolinone is C15H12ClNO.
What is the molecular weight of 1-(2-chlorophenyl)-1,4-dihydro-3(2H)-isoquinolinone?
The molecular weight of 1-(2-chlorophenyl)-1,4-dihydro-3(2H)-isoquinolinone is 257.06 g/mol.
Where can I buy 1-(2-chlorophenyl)-1,4-dihydro-3(2H)-isoquinolinone?
You can request a quote for 1-(2-chlorophenyl)-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-(2-chlorophenyl)-1,4-dihydro-3(2H)-isoquinolinone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-chlorophenyl)-1,4-dihydro-3(2H)-isoquinolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.