![3-(4-Methoxyphenyl)-5-[(phenylsulfonyl)methyl]isoxazole structure](/static/products/1068/106808-16-6.webp)
3-(4-Methoxyphenyl)-5-[(phenylsulfonyl)methyl]isoxazole
TL;DR: 3-(4-Methoxyphenyl)-5-[(phenylsulfonyl)methyl]isoxazole (CAS 106808-16-6) is a chemical compound with molecular formula C17H15NO4S and molecular weight 329.07217 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(benzenesulfonylmethyl)-3-(4-methoxyphenyl)-1,2-oxazole
Also Known As: 3-(4-methoxyphenyl)-5-[(phenylsulfonyl)methyl]isoxazole, 5-(benzenesulfonylmethyl)-3-(4-methoxyphenyl)-1,2-oxazole, 6M-323S, 5-[(benzenesulfonyl)methyl]-3-(4-methoxyphenyl)-1,2-oxazole
Technical Specifications
| Molecular Formula | C17H15NO4S |
| Molecular Weight | 329.07217 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.07217 Da |
| Heavy Atoms | 23 |
| Complexity | 461.0 |
| SMILES | COC1=CC=C(C=C1)C2=NOC(=C2)CS(=O)(=O)C3=CC=CC=C3 |
| InChIKey | BHOBHEHYQRSRNT-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Methoxyphenyl)-5-[(phenylsulfonyl)methyl]isoxazole
Property Insights of 3-(4-Methoxyphenyl)-5-[(phenylsulfonyl)methyl]isoxazole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methoxyphenyl)-5-[(phenylsulfonyl)methyl]isoxazole. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methoxyphenyl)-5-[(phenylsulfonyl)methyl]isoxazole. Following Lipinski's Rule of Five, 3-(4-Methoxyphenyl)-5-[(phenylsulfonyl)methyl]isoxazole 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 3-(4-Methoxyphenyl)-5-[(phenylsulfonyl)methyl]isoxazole?
The CAS number of 3-(4-Methoxyphenyl)-5-[(phenylsulfonyl)methyl]isoxazole is 106808-16-6.
What is the molecular formula of 3-(4-Methoxyphenyl)-5-[(phenylsulfonyl)methyl]isoxazole?
The molecular formula of 3-(4-Methoxyphenyl)-5-[(phenylsulfonyl)methyl]isoxazole is C17H15NO4S.
What is the molecular weight of 3-(4-Methoxyphenyl)-5-[(phenylsulfonyl)methyl]isoxazole?
The molecular weight of 3-(4-Methoxyphenyl)-5-[(phenylsulfonyl)methyl]isoxazole is 329.07217 g/mol.
Where can I buy 3-(4-Methoxyphenyl)-5-[(phenylsulfonyl)methyl]isoxazole?
You can request a quote for 3-(4-Methoxyphenyl)-5-[(phenylsulfonyl)methyl]isoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Methoxyphenyl)-5-[(phenylsulfonyl)methyl]isoxazole?
Yes, CoreyChem provides custom synthesis services for 3-(4-Methoxyphenyl)-5-[(phenylsulfonyl)methyl]isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.