![2-{[(4-chlorophenyl)sulfonyl]oxy}-1H-benzo[de]isoquinoline-1,3(2H)-dione structure](/static/products/826/82649-28-3.png)
2-{[(4-chlorophenyl)sulfonyl]oxy}-1H-benzo[de]isoquinoline-1,3(2H)-dione
TL;DR: 2-{[(4-chlorophenyl)sulfonyl]oxy}-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 82649-28-3) is a chemical compound with molecular formula C18H10ClNO5S and molecular weight 387.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxobenzo[de]isoquinolin-2-yl) 4-chlorobenzenesulfonate
Also Known As: 2-{[(4-chlorophenyl)sulfonyl]oxy}-1H-benzo[de]isoquinoline-1,3(2H)-dione, (1,3-dioxobenzo[de]isoquinolin-2-yl) 4-chlorobenzenesulfonate, 1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl 4-chlorobenzenesulfonate, 1H-benz[de]isoquinoline-1,3(2H)-dione, 2-[[(4-chlorophenyl)sulfonyl]oxy]-
| Molecular Formula | C18H10ClNO5S |
|---|---|
| Molecular Weight | 387.00 g/mol |
| LogP | 3.4097 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.99683 |
| Heavy Atoms | 26 |
| Complexity | 1121.1606 |
Chemical Identifiers
| CAS Number | 82649-28-3 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)OS(=O)(=O)C4=CC=C(C=C4)Cl |
Product Overview
2-{[(4-chlorophenyl)sulfonyl]oxy}-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 82649-28-3), with molecular formula C18H10ClNO5S and molecular weight 387.00 g/mol. IUPAC: (1,3-dioxobenzo[de]isoquinolin-2-yl) 4-chlorobenzenesulfonate.
Chemical Property Profile of 2-{[(4-chlorophenyl)sulfonyl]oxy}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Property Insights of 2-{[(4-chlorophenyl)sulfonyl]oxy}-1H-benzo[de]isoquinoline-1,3(2H)-dione
The XLogP value of 3.4097 indicates that 2-{[(4-chlorophenyl)sulfonyl]oxy}-1H-benzo[de]isoquinoline-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(4-chlorophenyl)sulfonyl]oxy}-1H-benzo[de]isoquinoline-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-{[(4-chlorophenyl)sulfonyl]oxy}-1H-benzo[de]isoquinoline-1,3(2H)-dione has 0 hydrogen bond donor(s) and 5 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-chlorophenyl)sulfonyl]oxy}-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The CAS number of 2-{[(4-chlorophenyl)sulfonyl]oxy}-1H-benzo[de]isoquinoline-1,3(2H)-dione is 82649-28-3.
What is the molecular formula of 2-{[(4-chlorophenyl)sulfonyl]oxy}-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular formula of 2-{[(4-chlorophenyl)sulfonyl]oxy}-1H-benzo[de]isoquinoline-1,3(2H)-dione is C18H10ClNO5S.
What is the molecular weight of 2-{[(4-chlorophenyl)sulfonyl]oxy}-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular weight of 2-{[(4-chlorophenyl)sulfonyl]oxy}-1H-benzo[de]isoquinoline-1,3(2H)-dione is 387.00 g/mol.
Where can I buy 2-{[(4-chlorophenyl)sulfonyl]oxy}-1H-benzo[de]isoquinoline-1,3(2H)-dione?
You can request a quote for 2-{[(4-chlorophenyl)sulfonyl]oxy}-1H-benzo[de]isoquinoline-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(4-chlorophenyl)sulfonyl]oxy}-1H-benzo[de]isoquinoline-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-chlorophenyl)sulfonyl]oxy}-1H-benzo[de]isoquinoline-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.