4-Hydroxy-1,3-(2H)-benzoxathiol-2-one
TL;DR: 4-Hydroxy-1,3-(2H)-benzoxathiol-2-one (CAS 95-18-1) is a chemical compound with molecular formula C7H4O3S and molecular weight 167.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-1,3-benzoxathiol-2-one
Also Known As: Thioxolone, Tioxolone, Camyna, Stepin, 4-hydroxy-1,3-benzoxathiol-2-one
| Molecular Formula | C7H4O3S |
|---|---|
| Molecular Weight | 167.99 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.98811 |
| Heavy Atoms | 11 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 95-18-1 |
|---|---|
| SMILES | C1=CC(=C2C(=C1)OC(=O)S2)O |
| InChIKey | NPSJCZBBMWLOLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxy-1,3-(2H)-benzoxathiol-2-one (CAS 95-18-1), with molecular formula C7H4O3S and molecular weight 167.99 g/mol. IUPAC: 4-hydroxy-1,3-benzoxathiol-2-one.
Chemical Property Profile of 4-Hydroxy-1,3-(2H)-benzoxathiol-2-one
Property Insights of 4-Hydroxy-1,3-(2H)-benzoxathiol-2-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-1,3-(2H)-benzoxathiol-2-one. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-1,3-(2H)-benzoxathiol-2-one. Following Lipinski's Rule of Five, 4-Hydroxy-1,3-(2H)-benzoxathiol-2-one has 1 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-1,3-(2H)-benzoxathiol-2-one?
The CAS number of 4-Hydroxy-1,3-(2H)-benzoxathiol-2-one is 95-18-1.
What is the molecular formula of 4-Hydroxy-1,3-(2H)-benzoxathiol-2-one?
The molecular formula of 4-Hydroxy-1,3-(2H)-benzoxathiol-2-one is C7H4O3S.
What is the molecular weight of 4-Hydroxy-1,3-(2H)-benzoxathiol-2-one?
The molecular weight of 4-Hydroxy-1,3-(2H)-benzoxathiol-2-one is 167.99 g/mol.
Where can I buy 4-Hydroxy-1,3-(2H)-benzoxathiol-2-one?
You can request a quote for 4-Hydroxy-1,3-(2H)-benzoxathiol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-1,3-(2H)-benzoxathiol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-1,3-(2H)-benzoxathiol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.