1,3-Benzoxathiol-2-one, 4,6-dimethyl-5-hydroxy-
TL;DR: 1,3-Benzoxathiol-2-one, 4,6-dimethyl-5-hydroxy- (CAS 7735-65-1) is a chemical compound with molecular formula C9H8O3S and molecular weight 196.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-4,6-dimethyl-1,3-benzoxathiol-2-one
Also Known As: 1,3-Benzoxathiol-2-one, 4,6-dimethyl-5-hydroxy-, 5-hydroxy-4,6-dimethyl-1,3-benzoxathiol-2-one, 5-hydroxy-4,6-dimethyl-2h-1,3-benzoxathiol-2-one, 1,3-Benzoxathiol-2-one,4,6-dimethyl-5-hydroxy-,, 1,3-Benzoxathiol-2-one, 4,6-dimethyl-5-hydroxy-,
| Molecular Formula | C9H8O3S |
|---|---|
| Molecular Weight | 196.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.01941 |
| Heavy Atoms | 13 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 7735-65-1 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1O)C)SC(=O)O2 |
| InChIKey | OONAXBHQRHBAAP-UHFFFAOYSA-N |
Product Overview
1,3-Benzoxathiol-2-one, 4,6-dimethyl-5-hydroxy- (CAS 7735-65-1), with molecular formula C9H8O3S and molecular weight 196.02 g/mol. IUPAC: 5-hydroxy-4,6-dimethyl-1,3-benzoxathiol-2-one.
Chemical Property Profile of 1,3-Benzoxathiol-2-one, 4,6-dimethyl-5-hydroxy-
Property Insights of 1,3-Benzoxathiol-2-one, 4,6-dimethyl-5-hydroxy-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzoxathiol-2-one, 4,6-dimethyl-5-hydroxy-. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzoxathiol-2-one, 4,6-dimethyl-5-hydroxy-. Following Lipinski's Rule of Five, 1,3-Benzoxathiol-2-one, 4,6-dimethyl-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, 4,6-dimethyl-5-hydroxy-?
The CAS number of 1,3-Benzoxathiol-2-one, 4,6-dimethyl-5-hydroxy- is 7735-65-1.
What is the molecular formula of 1,3-Benzoxathiol-2-one, 4,6-dimethyl-5-hydroxy-?
The molecular formula of 1,3-Benzoxathiol-2-one, 4,6-dimethyl-5-hydroxy- is C9H8O3S.
What is the molecular weight of 1,3-Benzoxathiol-2-one, 4,6-dimethyl-5-hydroxy-?
The molecular weight of 1,3-Benzoxathiol-2-one, 4,6-dimethyl-5-hydroxy- is 196.02 g/mol.
Where can I buy 1,3-Benzoxathiol-2-one, 4,6-dimethyl-5-hydroxy-?
You can request a quote for 1,3-Benzoxathiol-2-one, 4,6-dimethyl-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, 4,6-dimethyl-5-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzoxathiol-2-one, 4,6-dimethyl-5-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.