3(2H)-Isothiazolone, 4-hydroxy-5-phenyl-, 1,1-dioxide
TL;DR: 3(2H)-Isothiazolone, 4-hydroxy-5-phenyl-, 1,1-dioxide (CAS 89566-24-5) is a chemical compound with molecular formula C9H7NO4S and molecular weight 225.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
Also Known As: ChemDiv2_002292, 3(2H)-Isothiazolone, 4-hydroxy-5-phenyl-, 1,1-dioxide, 4-hydroxy-5-phenyl-3(2h)-isothiazolone 1,1-dioxide, 3,4-dihydroxy-5-phenyl-1,2-thiazole-1,1-dione, 4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
| Molecular Formula | C9H7NO4S |
|---|---|
| Molecular Weight | 225.01 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.00958 |
| Heavy Atoms | 15 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 89566-24-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=O)NS2(=O)=O)O |
| InChIKey | APSZXPLAWLMADT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3(2H)-Isothiazolone, 4-hydroxy-5-phenyl-, 1,1-dioxide (CAS 89566-24-5), with molecular formula C9H7NO4S and molecular weight 225.01 g/mol. IUPAC: 4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one.
Chemical Property Profile of 3(2H)-Isothiazolone, 4-hydroxy-5-phenyl-, 1,1-dioxide
Property Insights of 3(2H)-Isothiazolone, 4-hydroxy-5-phenyl-, 1,1-dioxide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3(2H)-Isothiazolone, 4-hydroxy-5-phenyl-, 1,1-dioxide. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3(2H)-Isothiazolone, 4-hydroxy-5-phenyl-, 1,1-dioxide. Following Lipinski's Rule of Five, 3(2H)-Isothiazolone, 4-hydroxy-5-phenyl-, 1,1-dioxide 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 3(2H)-Isothiazolone, 4-hydroxy-5-phenyl-, 1,1-dioxide?
The CAS number of 3(2H)-Isothiazolone, 4-hydroxy-5-phenyl-, 1,1-dioxide is 89566-24-5.
What is the molecular formula of 3(2H)-Isothiazolone, 4-hydroxy-5-phenyl-, 1,1-dioxide?
The molecular formula of 3(2H)-Isothiazolone, 4-hydroxy-5-phenyl-, 1,1-dioxide is C9H7NO4S.
What is the molecular weight of 3(2H)-Isothiazolone, 4-hydroxy-5-phenyl-, 1,1-dioxide?
The molecular weight of 3(2H)-Isothiazolone, 4-hydroxy-5-phenyl-, 1,1-dioxide is 225.01 g/mol.
Where can I buy 3(2H)-Isothiazolone, 4-hydroxy-5-phenyl-, 1,1-dioxide?
You can request a quote for 3(2H)-Isothiazolone, 4-hydroxy-5-phenyl-, 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 3(2H)-Isothiazolone, 4-hydroxy-5-phenyl-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Isothiazolone, 4-hydroxy-5-phenyl-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.