2-Benzoyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
TL;DR: 2-Benzoyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide (CAS 37952-93-5) is a chemical compound with molecular formula C14H9NO4S and molecular weight 287.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: N-benzoylsaccharin, 2-Benzoyl-benzisothiazolinone-1,1-dioxide, 2-benzoyl-1,1-dioxo-1,2-benzothiazol-3-one, 2-Benzoyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide, 2-benzoyl-1,2-benzothiazol-3(2h)-one 1,1-dioxide
| Molecular Formula | C14H9NO4S |
|---|---|
| Molecular Weight | 287.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 287.02524 |
| Heavy Atoms | 20 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 37952-93-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N2C(=O)C3=CC=CC=C3S2(=O)=O |
| InChIKey | RMESWYTZUADOFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzoyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide (CAS 37952-93-5), with molecular formula C14H9NO4S and molecular weight 287.03 g/mol. IUPAC: 2-benzoyl-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-Benzoyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
Property Insights of 2-Benzoyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzoyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzoyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide. Following Lipinski's Rule of Five, 2-Benzoyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide has 0 hydrogen bond donor(s) and 4 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-Benzoyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide?
The CAS number of 2-Benzoyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide is 37952-93-5.
What is the molecular formula of 2-Benzoyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide?
The molecular formula of 2-Benzoyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide is C14H9NO4S.
What is the molecular weight of 2-Benzoyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide?
The molecular weight of 2-Benzoyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide is 287.03 g/mol.
Where can I buy 2-Benzoyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide?
You can request a quote for 2-Benzoyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.