2-(3-chlorobenzyl)-1,3(2H,4H)-isoquinolinedione
TL;DR: 2-(3-chlorobenzyl)-1,3(2H,4H)-isoquinolinedione (CAS 341965-94-4) is a chemical compound with molecular formula C16H12ClNO2 and molecular weight 285.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chlorophenyl)methyl]-4H-isoquinoline-1,3-dione
Also Known As: 2-(3-chlorobenzyl)-1,3(2H,4H)-isoquinolinedione, 2-[(3-chlorophenyl)methyl]-4H-isoquinoline-1,3-dione, 2-(3-chlorobenzyl)-4H-isoquinoline-1,3-quinone, 2-[(3-chlorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1,3-dione, 2-[(3-Chlorophenyl)methyl]isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C16H12ClNO2 |
|---|---|
| Molecular Weight | 285.06 g/mol |
| LogP | 3.0651 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.05566 |
| Heavy Atoms | 20 |
| Complexity | 696.38116 |
Chemical Identifiers
| CAS Number | 341965-94-4 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC(=CC=C3)Cl |
Product Overview
2-(3-chlorobenzyl)-1,3(2H,4H)-isoquinolinedione (CAS 341965-94-4), with molecular formula C16H12ClNO2 and molecular weight 285.06 g/mol. IUPAC: 2-[(3-chlorophenyl)methyl]-4H-isoquinoline-1,3-dione.
Chemical Property Profile of 2-(3-chlorobenzyl)-1,3(2H,4H)-isoquinolinedione
Property Insights of 2-(3-chlorobenzyl)-1,3(2H,4H)-isoquinolinedione
The XLogP value of 3.0651 indicates that 2-(3-chlorobenzyl)-1,3(2H,4H)-isoquinolinedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, 2-(3-chlorobenzyl)-1,3(2H,4H)-isoquinolinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-chlorobenzyl)-1,3(2H,4H)-isoquinolinedione has 0 hydrogen bond donor(s) and 2 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 2-(3-chlorobenzyl)-1,3(2H,4H)-isoquinolinedione?
The CAS number of 2-(3-chlorobenzyl)-1,3(2H,4H)-isoquinolinedione is 341965-94-4.
What is the molecular formula of 2-(3-chlorobenzyl)-1,3(2H,4H)-isoquinolinedione?
The molecular formula of 2-(3-chlorobenzyl)-1,3(2H,4H)-isoquinolinedione is C16H12ClNO2.
What is the molecular weight of 2-(3-chlorobenzyl)-1,3(2H,4H)-isoquinolinedione?
The molecular weight of 2-(3-chlorobenzyl)-1,3(2H,4H)-isoquinolinedione is 285.06 g/mol.
Where can I buy 2-(3-chlorobenzyl)-1,3(2H,4H)-isoquinolinedione?
You can request a quote for 2-(3-chlorobenzyl)-1,3(2H,4H)-isoquinolinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-chlorobenzyl)-1,3(2H,4H)-isoquinolinedione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-chlorobenzyl)-1,3(2H,4H)-isoquinolinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.