1,3-Benzoxathiol-2-one, 5-hydroxy-
TL;DR: 1,3-Benzoxathiol-2-one, 5-hydroxy- (CAS 7735-56-0) 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.
5-hydroxy-1,3-benzoxathiol-2-one
Also Known As: 5-Hydroxy-1,3-benzoxathiol-2-one, 5-Hydroxybenzo[d][1,3]oxathiol-2-one, 1,3-Benzoxathiol-2-one, 5-hydroxy-, 5-hydroxy-2H-1,3-benzoxathiol-2-one, ZERO/004613
| 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 | 7735-56-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1O)SC(=O)O2 |
| InChIKey | HDSYJLOFQVPBJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzoxathiol-2-one, 5-hydroxy- (CAS 7735-56-0), with molecular formula C7H4O3S and molecular weight 167.99 g/mol. IUPAC: 5-hydroxy-1,3-benzoxathiol-2-one.
Chemical Property Profile of 1,3-Benzoxathiol-2-one, 5-hydroxy-
Property Insights of 1,3-Benzoxathiol-2-one, 5-hydroxy-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzoxathiol-2-one, 5-hydroxy-. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzoxathiol-2-one, 5-hydroxy-. Following Lipinski's Rule of Five, 1,3-Benzoxathiol-2-one, 5-hydroxy- 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 1,3-Benzoxathiol-2-one, 5-hydroxy-?
The CAS number of 1,3-Benzoxathiol-2-one, 5-hydroxy- is 7735-56-0.
What is the molecular formula of 1,3-Benzoxathiol-2-one, 5-hydroxy-?
The molecular formula of 1,3-Benzoxathiol-2-one, 5-hydroxy- is C7H4O3S.
What is the molecular weight of 1,3-Benzoxathiol-2-one, 5-hydroxy-?
The molecular weight of 1,3-Benzoxathiol-2-one, 5-hydroxy- is 167.99 g/mol.
Where can I buy 1,3-Benzoxathiol-2-one, 5-hydroxy-?
You can request a quote for 1,3-Benzoxathiol-2-one, 5-hydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzoxathiol-2-one, 5-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzoxathiol-2-one, 5-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.