![1-[[(4-Methylphenyl)sulphonyl]oxy]-1,2-benziodoxol-3(1H)-one structure](/static/products/1599/159950-96-6.webp)
1-[[(4-Methylphenyl)sulphonyl]oxy]-1,2-benziodoxol-3(1H)-one
TL;DR: 1-[[(4-Methylphenyl)sulphonyl]oxy]-1,2-benziodoxol-3(1H)-one (CAS 159950-96-6) is a chemical compound with molecular formula C14H11IO5S and molecular weight 417.9372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-oxo-1λ3,2-benziodoxol-1-yl) 4-methylbenzenesulfonate
Also Known As: (3-oxo-1, 1-(Tosyloxy)-3H-1,2-benzoiodoxole-3-one, 1-[[(4-Methylphenyl)sulphonyl]oxy]-1,2-benziodoxol-3(1H)-one, 1-(Tosyloxy)-1-ioda(III)-2-oxaindan-3-one, (3-oxo-1lambda3,2-benziodoxol-1-yl) 4-methylbenzenesulfonate
Technical Specifications
| Molecular Formula | C14H11IO5S |
| Molecular Weight | 417.9372 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.9372 Da |
| Heavy Atoms | 21 |
| Complexity | 492.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OI2C3=CC=CC=C3C(=O)O2 |
| InChIKey | UARYLZXFSPDNRZ-UHFFFAOYSA-N |
Chemical Property Profile of 1-[[(4-Methylphenyl)sulphonyl]oxy]-1,2-benziodoxol-3(1H)-one
Property Insights of 1-[[(4-Methylphenyl)sulphonyl]oxy]-1,2-benziodoxol-3(1H)-one
The XLogP value of 4.0 indicates that 1-[[(4-Methylphenyl)sulphonyl]oxy]-1,2-benziodoxol-3(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[[(4-Methylphenyl)sulphonyl]oxy]-1,2-benziodoxol-3(1H)-one. Following Lipinski's Rule of Five, 1-[[(4-Methylphenyl)sulphonyl]oxy]-1,2-benziodoxol-3(1H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-[[(4-Methylphenyl)sulphonyl]oxy]-1,2-benziodoxol-3(1H)-one?
The CAS number of 1-[[(4-Methylphenyl)sulphonyl]oxy]-1,2-benziodoxol-3(1H)-one is 159950-96-6.
What is the molecular formula of 1-[[(4-Methylphenyl)sulphonyl]oxy]-1,2-benziodoxol-3(1H)-one?
The molecular formula of 1-[[(4-Methylphenyl)sulphonyl]oxy]-1,2-benziodoxol-3(1H)-one is C14H11IO5S.
What is the molecular weight of 1-[[(4-Methylphenyl)sulphonyl]oxy]-1,2-benziodoxol-3(1H)-one?
The molecular weight of 1-[[(4-Methylphenyl)sulphonyl]oxy]-1,2-benziodoxol-3(1H)-one is 417.9372 g/mol.
Where can I buy 1-[[(4-Methylphenyl)sulphonyl]oxy]-1,2-benziodoxol-3(1H)-one?
You can request a quote for 1-[[(4-Methylphenyl)sulphonyl]oxy]-1,2-benziodoxol-3(1H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[[(4-Methylphenyl)sulphonyl]oxy]-1,2-benziodoxol-3(1H)-one?
Yes, CoreyChem provides custom synthesis services for 1-[[(4-Methylphenyl)sulphonyl]oxy]-1,2-benziodoxol-3(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.