4-hydroxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione
TL;DR: 4-hydroxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione (CAS 80563-77-5) is a chemical compound with molecular formula C7H5NO4S and molecular weight 198.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: 4-hydroxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione, null, propoxycarbazone-sodium TP2, M08 (4-hydroxy saccharin), 4-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one
| Molecular Formula | C7H5NO4S |
|---|---|
| Molecular Weight | 198.99 g/mol |
| LogP | -0.1757 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.99393 |
| Heavy Atoms | 13 |
| Complexity | 491.21405 |
Chemical Identifiers
| CAS Number | 80563-77-5 |
|---|---|
| SMILES | C1=CC(=C2C(=C1)S(=O)(=O)NC2=O)O |
Product Overview
4-hydroxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione (CAS 80563-77-5), with molecular formula C7H5NO4S and molecular weight 198.99 g/mol. IUPAC: 4-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 4-hydroxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione
Property Insights of 4-hydroxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione
The XLogP value of -0.1757 indicates that 4-hydroxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-hydroxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione. Following Lipinski's Rule of Five, 4-hydroxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione has 2 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 4-hydroxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione?
The CAS number of 4-hydroxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione is 80563-77-5.
What is the molecular formula of 4-hydroxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione?
The molecular formula of 4-hydroxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione is C7H5NO4S.
What is the molecular weight of 4-hydroxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione?
The molecular weight of 4-hydroxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione is 198.99 g/mol.
Where can I buy 4-hydroxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione?
You can request a quote for 4-hydroxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-hydroxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 4-hydroxy-1H-1,2-benzisothiazole-1,1,3(2H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.