1,3,2Lambda6-benzodioxathiole-2,2-dione
TL;DR: 1,3,2Lambda6-benzodioxathiole-2,2-dione (CAS 4074-55-9) is a chemical compound with molecular formula C6H4O4S and molecular weight 171.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,2λ6-benzodioxathiole 2,2-dioxide
Also Known As: benzene sulfate, 1,3,2-Benzodioxathiole, 2,2-dioxide, Pyrocatechol cyclic sulfate, 1,3,2lambda6-benzodioxathiole-2,2-dione, Schwefelsaeure-o-phenylester
| Molecular Formula | C6H4O4S |
|---|---|
| Molecular Weight | 171.98 g/mol |
| LogP | 0.7026 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.98303 |
| Heavy Atoms | 11 |
| Complexity | 350.3237 |
Chemical Identifiers
| CAS Number | 4074-55-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)OS(=O)(=O)O2 |
Product Overview
1,3,2Lambda6-benzodioxathiole-2,2-dione (CAS 4074-55-9), with molecular formula C6H4O4S and molecular weight 171.98 g/mol. IUPAC: 1,3,2λ6-benzodioxathiole 2,2-dioxide.
Chemical Property Profile of 1,3,2Lambda6-benzodioxathiole-2,2-dione
Property Insights of 1,3,2Lambda6-benzodioxathiole-2,2-dione
The XLogP value of 0.7026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,2Lambda6-benzodioxathiole-2,2-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3,2Lambda6-benzodioxathiole-2,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,2Lambda6-benzodioxathiole-2,2-dione 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 1,3,2Lambda6-benzodioxathiole-2,2-dione?
The CAS number of 1,3,2Lambda6-benzodioxathiole-2,2-dione is 4074-55-9.
What is the molecular formula of 1,3,2Lambda6-benzodioxathiole-2,2-dione?
The molecular formula of 1,3,2Lambda6-benzodioxathiole-2,2-dione is C6H4O4S.
What is the molecular weight of 1,3,2Lambda6-benzodioxathiole-2,2-dione?
The molecular weight of 1,3,2Lambda6-benzodioxathiole-2,2-dione is 171.98 g/mol.
Where can I buy 1,3,2Lambda6-benzodioxathiole-2,2-dione?
You can request a quote for 1,3,2Lambda6-benzodioxathiole-2,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,2Lambda6-benzodioxathiole-2,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3,2Lambda6-benzodioxathiole-2,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.