![3,5-Dimethyl-4-{[(4-methylphenyl)sulfonyl]methyl}isoxazole structure](/static/products/116/116445-98-8.webp)
3,5-Dimethyl-4-{[(4-methylphenyl)sulfonyl]methyl}isoxazole
TL;DR: 3,5-Dimethyl-4-{[(4-methylphenyl)sulfonyl]methyl}isoxazole (CAS 116445-98-8) is a chemical compound with molecular formula C13H15NO3S and molecular weight 265.07727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dimethyl-4-[(4-methylphenyl)sulfonylmethyl]-1,2-oxazole
Also Known As: 3,5-dimethyl-4-{[(4-methylphenyl)sulfonyl]methyl}isoxazole, AM-970/41069552, 3,5-dimethyl-4-[(4-methylphenyl)sulfonylmethyl]-1,2-oxazole
Technical Specifications
| Molecular Formula | C13H15NO3S |
| Molecular Weight | 265.07727 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 68.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.07727 Da |
| Heavy Atoms | 18 |
| Complexity | 368.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC2=C(ON=C2C)C |
| InChIKey | QDYVRZXJHHSIDJ-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Dimethyl-4-{[(4-methylphenyl)sulfonyl]methyl}isoxazole
Property Insights of 3,5-Dimethyl-4-{[(4-methylphenyl)sulfonyl]methyl}isoxazole
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-4-{[(4-methylphenyl)sulfonyl]methyl}isoxazole. The TPSA of 68.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-4-{[(4-methylphenyl)sulfonyl]methyl}isoxazole. Following Lipinski's Rule of Five, 3,5-Dimethyl-4-{[(4-methylphenyl)sulfonyl]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 3,5-Dimethyl-4-{[(4-methylphenyl)sulfonyl]methyl}isoxazole?
The CAS number of 3,5-Dimethyl-4-{[(4-methylphenyl)sulfonyl]methyl}isoxazole is 116445-98-8.
What is the molecular formula of 3,5-Dimethyl-4-{[(4-methylphenyl)sulfonyl]methyl}isoxazole?
The molecular formula of 3,5-Dimethyl-4-{[(4-methylphenyl)sulfonyl]methyl}isoxazole is C13H15NO3S.
What is the molecular weight of 3,5-Dimethyl-4-{[(4-methylphenyl)sulfonyl]methyl}isoxazole?
The molecular weight of 3,5-Dimethyl-4-{[(4-methylphenyl)sulfonyl]methyl}isoxazole is 265.07727 g/mol.
Where can I buy 3,5-Dimethyl-4-{[(4-methylphenyl)sulfonyl]methyl}isoxazole?
You can request a quote for 3,5-Dimethyl-4-{[(4-methylphenyl)sulfonyl]methyl}isoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Dimethyl-4-{[(4-methylphenyl)sulfonyl]methyl}isoxazole?
Yes, CoreyChem provides custom synthesis services for 3,5-Dimethyl-4-{[(4-methylphenyl)sulfonyl]methyl}isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.