(5R,6R)-5-(benzenesulfonyl)-6-(2-phenylethenyl)oxan-2-one
TL;DR: (5R,6R)-5-(benzenesulfonyl)-6-(2-phenylethenyl)oxan-2-one (CAS 113519-12-3) is a chemical compound with molecular formula C19H18O4S and molecular weight 342.0926 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5R,6R)-5-(benzenesulfonyl)-6-(2-phenylethenyl)oxan-2-one
Also Known As: NCI60_009372, (5R,6R)-5-(benzenesulfonyl)-6-(2-phenylethenyl)oxan-2-one, 2H-Pyran-2-one, tetrahydro-6-(2-phenylethenyl)-5-(phenylsulfonyl)-, cis-
Technical Specifications
| Molecular Formula | C19H18O4S |
| Molecular Weight | 342.0926 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.0926 Da |
| Heavy Atoms | 24 |
| Complexity | 548.0 |
| SMILES | C1CC(=O)O[C@@H]([C@@H]1S(=O)(=O)C2=CC=CC=C2)C=CC3=CC=CC=C3 |
| InChIKey | NNEURMOBBDOWNZ-QZTJIDSGSA-N |
Chemical Property Profile of (5R,6R)-5-(benzenesulfonyl)-6-(2-phenylethenyl)oxan-2-one
Property Insights of (5R,6R)-5-(benzenesulfonyl)-6-(2-phenylethenyl)oxan-2-one
The XLogP value of 3.4 indicates that (5R,6R)-5-(benzenesulfonyl)-6-(2-phenylethenyl)oxan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (5R,6R)-5-(benzenesulfonyl)-6-(2-phenylethenyl)oxan-2-one. Following Lipinski's Rule of Five, (5R,6R)-5-(benzenesulfonyl)-6-(2-phenylethenyl)oxan-2-one 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
What is the CAS number of (5R,6R)-5-(benzenesulfonyl)-6-(2-phenylethenyl)oxan-2-one?
The CAS number of (5R,6R)-5-(benzenesulfonyl)-6-(2-phenylethenyl)oxan-2-one is 113519-12-3.
What is the molecular formula of (5R,6R)-5-(benzenesulfonyl)-6-(2-phenylethenyl)oxan-2-one?
The molecular formula of (5R,6R)-5-(benzenesulfonyl)-6-(2-phenylethenyl)oxan-2-one is C19H18O4S.
What is the molecular weight of (5R,6R)-5-(benzenesulfonyl)-6-(2-phenylethenyl)oxan-2-one?
The molecular weight of (5R,6R)-5-(benzenesulfonyl)-6-(2-phenylethenyl)oxan-2-one is 342.0926 g/mol.
Where can I buy (5R,6R)-5-(benzenesulfonyl)-6-(2-phenylethenyl)oxan-2-one?
You can request a quote for (5R,6R)-5-(benzenesulfonyl)-6-(2-phenylethenyl)oxan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (5R,6R)-5-(benzenesulfonyl)-6-(2-phenylethenyl)oxan-2-one?
Yes, CoreyChem provides custom synthesis services for (5R,6R)-5-(benzenesulfonyl)-6-(2-phenylethenyl)oxan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.