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Benzenesulfonic acid 1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl ester
TL;DR: Benzenesulfonic acid 1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl ester (CAS 23928-87-2) is a chemical compound with molecular formula C18H11NO5S and molecular weight 353.04 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) benzenesulfonate
Also Known As: n-(phenylsulfonyloxy)-1,8-naphthalimide, BAS 00384127, J2.273.374E, N-(Phenylsulfonyloxy)-1,8-naphthalenedicarbimide, N-(Phenylsulfonyloxy)naphthalene-1,8-dicarbimide
| Molecular Formula | C18H11NO5S |
|---|---|
| Molecular Weight | 353.04 g/mol |
| LogP | 2.7563 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.0358 |
| Heavy Atoms | 25 |
| Complexity | 1071.9214 |
Chemical Identifiers
| CAS Number | 23928-87-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O |
Product Overview
Benzenesulfonic acid 1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl ester (CAS 23928-87-2), with molecular formula C18H11NO5S and molecular weight 353.04 g/mol. IUPAC: (1,3-dioxobenzo[de]isoquinolin-2-yl) benzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid 1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl ester
Property Insights of Benzenesulfonic acid 1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl ester
The XLogP value of 2.7563 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid 1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl ester. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid 1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl ester. Following Lipinski's Rule of Five, Benzenesulfonic acid 1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl ester 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 Benzenesulfonic acid 1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl ester?
The CAS number of Benzenesulfonic acid 1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl ester is 23928-87-2.
What is the molecular formula of Benzenesulfonic acid 1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl ester?
The molecular formula of Benzenesulfonic acid 1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl ester is C18H11NO5S.
What is the molecular weight of Benzenesulfonic acid 1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl ester?
The molecular weight of Benzenesulfonic acid 1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl ester is 353.04 g/mol.
Where can I buy Benzenesulfonic acid 1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl ester?
You can request a quote for Benzenesulfonic acid 1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid 1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid 1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.