![3,5-Dimethyl-4-[phenyl(phenylsulfonyl)methyl]isoxazole structure](/static/products/4454/445458-48-0.webp)
3,5-Dimethyl-4-[phenyl(phenylsulfonyl)methyl]isoxazole
TL;DR: 3,5-Dimethyl-4-[phenyl(phenylsulfonyl)methyl]isoxazole (CAS 445458-48-0) is a chemical compound with molecular formula C18H17NO3S and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[benzenesulfonyl(phenyl)methyl]-3,5-dimethyl-1,2-oxazole
Also Known As: 3,5-dimethyl-4-[phenyl(phenylsulfonyl)methyl]isoxazole, AM-970/41069493, 4-[benzenesulfonyl(phenyl)methyl]-3,5-dimethyl-1,2-oxazole
| Molecular Formula | C18H17NO3S |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 3.85474 |
| Topological Polar Surface Area | 60.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.09293 |
| Heavy Atoms | 23 |
| Complexity | 880.45447 |
Chemical Identifiers
| CAS Number | 445458-48-0 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)C(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
3,5-Dimethyl-4-[phenyl(phenylsulfonyl)methyl]isoxazole (CAS 445458-48-0), with molecular formula C18H17NO3S and molecular weight 327.09 g/mol. IUPAC: 4-[benzenesulfonyl(phenyl)methyl]-3,5-dimethyl-1,2-oxazole.
Chemical Property Profile of 3,5-Dimethyl-4-[phenyl(phenylsulfonyl)methyl]isoxazole
Property Insights of 3,5-Dimethyl-4-[phenyl(phenylsulfonyl)methyl]isoxazole
The XLogP value of 3.85474 indicates that 3,5-Dimethyl-4-[phenyl(phenylsulfonyl)methyl]isoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-4-[phenyl(phenylsulfonyl)methyl]isoxazole. Following Lipinski's Rule of Five, 3,5-Dimethyl-4-[phenyl(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
Frequently Asked Questions
What is the CAS number of 3,5-Dimethyl-4-[phenyl(phenylsulfonyl)methyl]isoxazole?
The CAS number of 3,5-Dimethyl-4-[phenyl(phenylsulfonyl)methyl]isoxazole is 445458-48-0.
What is the molecular formula of 3,5-Dimethyl-4-[phenyl(phenylsulfonyl)methyl]isoxazole?
The molecular formula of 3,5-Dimethyl-4-[phenyl(phenylsulfonyl)methyl]isoxazole is C18H17NO3S.
What is the molecular weight of 3,5-Dimethyl-4-[phenyl(phenylsulfonyl)methyl]isoxazole?
The molecular weight of 3,5-Dimethyl-4-[phenyl(phenylsulfonyl)methyl]isoxazole is 327.09 g/mol.
Where can I buy 3,5-Dimethyl-4-[phenyl(phenylsulfonyl)methyl]isoxazole?
You can request a quote for 3,5-Dimethyl-4-[phenyl(phenylsulfonyl)methyl]isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-4-[phenyl(phenylsulfonyl)methyl]isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-4-[phenyl(phenylsulfonyl)methyl]isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.