1,2-Benzoxathiin-4(3H)-one, 2,2-dioxide
TL;DR: 1,2-Benzoxathiin-4(3H)-one, 2,2-dioxide (CAS 49670-47-5) is a chemical compound with molecular formula C8H6O4S and molecular weight 198.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dioxo-1,2λ6-benzoxathiin-4-one
Also Known As: 1,2-Benzoxathiin-4(3H)-one, 2,2-dioxide, 1,2-Benzoxathiin-4(3H)-one 2,2-dioxide, 2,2-dioxo-1,2, 2,2-Dioxo-1,2-benzoxanthin-4(3H)-one, 2,2-dioxo-1,2lambda6-benzoxathiin-4-one
| Molecular Formula | C8H6O4S |
|---|---|
| Molecular Weight | 198.00 g/mol |
| LogP | 0.5915 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.99867 |
| Heavy Atoms | 13 |
| Complexity | 460.7873 |
Chemical Identifiers
| CAS Number | 49670-47-5 |
|---|---|
| SMILES | C1C(=O)C2=CC=CC=C2OS1(=O)=O |
Product Overview
1,2-Benzoxathiin-4(3H)-one, 2,2-dioxide (CAS 49670-47-5), with molecular formula C8H6O4S and molecular weight 198.00 g/mol. IUPAC: 2,2-dioxo-1,2λ6-benzoxathiin-4-one.
Chemical Property Profile of 1,2-Benzoxathiin-4(3H)-one, 2,2-dioxide
Property Insights of 1,2-Benzoxathiin-4(3H)-one, 2,2-dioxide
The XLogP value of 0.5915 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzoxathiin-4(3H)-one, 2,2-dioxide. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzoxathiin-4(3H)-one, 2,2-dioxide. Following Lipinski's Rule of Five, 1,2-Benzoxathiin-4(3H)-one, 2,2-dioxide has 0 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 1,2-Benzoxathiin-4(3H)-one, 2,2-dioxide?
The CAS number of 1,2-Benzoxathiin-4(3H)-one, 2,2-dioxide is 49670-47-5.
What is the molecular formula of 1,2-Benzoxathiin-4(3H)-one, 2,2-dioxide?
The molecular formula of 1,2-Benzoxathiin-4(3H)-one, 2,2-dioxide is C8H6O4S.
What is the molecular weight of 1,2-Benzoxathiin-4(3H)-one, 2,2-dioxide?
The molecular weight of 1,2-Benzoxathiin-4(3H)-one, 2,2-dioxide is 198.00 g/mol.
Where can I buy 1,2-Benzoxathiin-4(3H)-one, 2,2-dioxide?
You can request a quote for 1,2-Benzoxathiin-4(3H)-one, 2,2-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzoxathiin-4(3H)-one, 2,2-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzoxathiin-4(3H)-one, 2,2-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.