![2-[(4-chlorobenzyl)oxy]-1,3(2H,4H)-isoquinolinedione structure](/static/products/3204/320420-22-2.webp)
2-[(4-chlorobenzyl)oxy]-1,3(2H,4H)-isoquinolinedione
TL;DR: 2-[(4-chlorobenzyl)oxy]-1,3(2H,4H)-isoquinolinedione (CAS 320420-22-2) is a chemical compound with molecular formula C16H12ClNO3 and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methoxy]-4H-isoquinoline-1,3-dione
Also Known As: 2-[(4-chlorobenzyl)oxy]-1,3(2H,4H)-isoquinolinedione, 2-[(4-chlorophenyl)methoxy]-4H-isoquinoline-1,3-dione, 2-(4-chlorobenzyl)oxy-4H-isoquinoline-1,3-quinone, 2-[(4-chlorophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline-1,3-dione
| Molecular Formula | C16H12ClNO3 |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 2.9967 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.05057 |
| Heavy Atoms | 21 |
| Complexity | 696.9232 |
Chemical Identifiers
| CAS Number | 320420-22-2 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)N(C1=O)OCC3=CC=C(C=C3)Cl |
Product Overview
2-[(4-chlorobenzyl)oxy]-1,3(2H,4H)-isoquinolinedione (CAS 320420-22-2), with molecular formula C16H12ClNO3 and molecular weight 301.05 g/mol. IUPAC: 2-[(4-chlorophenyl)methoxy]-4H-isoquinoline-1,3-dione.
Chemical Property Profile of 2-[(4-chlorobenzyl)oxy]-1,3(2H,4H)-isoquinolinedione
Property Insights of 2-[(4-chlorobenzyl)oxy]-1,3(2H,4H)-isoquinolinedione
The XLogP value of 2.9967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-chlorobenzyl)oxy]-1,3(2H,4H)-isoquinolinedione. With a topological polar surface area (TPSA) of 46.61 Ų, 2-[(4-chlorobenzyl)oxy]-1,3(2H,4H)-isoquinolinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-chlorobenzyl)oxy]-1,3(2H,4H)-isoquinolinedione 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 2-[(4-chlorobenzyl)oxy]-1,3(2H,4H)-isoquinolinedione?
The CAS number of 2-[(4-chlorobenzyl)oxy]-1,3(2H,4H)-isoquinolinedione is 320420-22-2.
What is the molecular formula of 2-[(4-chlorobenzyl)oxy]-1,3(2H,4H)-isoquinolinedione?
The molecular formula of 2-[(4-chlorobenzyl)oxy]-1,3(2H,4H)-isoquinolinedione is C16H12ClNO3.
What is the molecular weight of 2-[(4-chlorobenzyl)oxy]-1,3(2H,4H)-isoquinolinedione?
The molecular weight of 2-[(4-chlorobenzyl)oxy]-1,3(2H,4H)-isoquinolinedione is 301.05 g/mol.
Where can I buy 2-[(4-chlorobenzyl)oxy]-1,3(2H,4H)-isoquinolinedione?
You can request a quote for 2-[(4-chlorobenzyl)oxy]-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-[(4-chlorobenzyl)oxy]-1,3(2H,4H)-isoquinolinedione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-chlorobenzyl)oxy]-1,3(2H,4H)-isoquinolinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.