![3-Phenyl-5-[(phenylsulfonyl)methyl]isoxazole structure](/static/products/1068/106808-15-5.webp)
3-Phenyl-5-[(phenylsulfonyl)methyl]isoxazole
TL;DR: 3-Phenyl-5-[(phenylsulfonyl)methyl]isoxazole (CAS 106808-15-5) is a chemical compound with molecular formula C16H13NO3S and molecular weight 299.0616 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(benzenesulfonylmethyl)-3-phenyl-1,2-oxazole
Also Known As: 3-phenyl-5-[(phenylsulfonyl)methyl]isoxazole, 5-(benzenesulfonylmethyl)-3-phenyl-1,2-oxazole, 5-[(benzenesulfonyl)methyl]-3-phenyl-1,2-oxazole, 5M-351S
Technical Specifications
| Molecular Formula | C16H13NO3S |
| Molecular Weight | 299.0616 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 68.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.0616 Da |
| Heavy Atoms | 21 |
| Complexity | 419.0 |
| SMILES | C1=CC=C(C=C1)C2=NOC(=C2)CS(=O)(=O)C3=CC=CC=C3 |
| InChIKey | QEFSRJFPQNHKSL-UHFFFAOYSA-N |
Chemical Property Profile of 3-Phenyl-5-[(phenylsulfonyl)methyl]isoxazole
Property Insights of 3-Phenyl-5-[(phenylsulfonyl)methyl]isoxazole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-5-[(phenylsulfonyl)methyl]isoxazole. The TPSA of 68.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Phenyl-5-[(phenylsulfonyl)methyl]isoxazole. Following Lipinski's Rule of Five, 3-Phenyl-5-[(phenylsulfonyl)methyl]isoxazole 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 3-Phenyl-5-[(phenylsulfonyl)methyl]isoxazole?
The CAS number of 3-Phenyl-5-[(phenylsulfonyl)methyl]isoxazole is 106808-15-5.
What is the molecular formula of 3-Phenyl-5-[(phenylsulfonyl)methyl]isoxazole?
The molecular formula of 3-Phenyl-5-[(phenylsulfonyl)methyl]isoxazole is C16H13NO3S.
What is the molecular weight of 3-Phenyl-5-[(phenylsulfonyl)methyl]isoxazole?
The molecular weight of 3-Phenyl-5-[(phenylsulfonyl)methyl]isoxazole is 299.0616 g/mol.
Where can I buy 3-Phenyl-5-[(phenylsulfonyl)methyl]isoxazole?
You can request a quote for 3-Phenyl-5-[(phenylsulfonyl)methyl]isoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Phenyl-5-[(phenylsulfonyl)methyl]isoxazole?
Yes, CoreyChem provides custom synthesis services for 3-Phenyl-5-[(phenylsulfonyl)methyl]isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.