![3,5-Dimethyl-4-{[(4-nitrophenyl)sulfonyl]methyl}isoxazole structure](/static/products/3039/303985-32-2.webp)
3,5-Dimethyl-4-{[(4-nitrophenyl)sulfonyl]methyl}isoxazole
TL;DR: 3,5-Dimethyl-4-{[(4-nitrophenyl)sulfonyl]methyl}isoxazole (CAS 303985-32-2) is a chemical compound with molecular formula C12H12N2O5S and molecular weight 296.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-4-[(4-nitrophenyl)sulfonylmethyl]-1,2-oxazole
Also Known As: 3,5-dimethyl-4-{[(4-nitrophenyl)sulfonyl]methyl}isoxazole, 3,5-dimethyl-4-[(4-nitrophenyl)sulfonylmethyl]-1,2-oxazole, 3,5-dimethyl-4-[(4-nitrobenzenesulfonyl)methyl]-1,2-oxazole
| Molecular Formula | C12H12N2O5S |
|---|---|
| Molecular Weight | 296.05 g/mol |
| LogP | 2.17354 |
| Topological Polar Surface Area | 103.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.0467 |
| Heavy Atoms | 20 |
| Complexity | 727.1549 |
Chemical Identifiers
| CAS Number | 303985-32-2 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
3,5-Dimethyl-4-{[(4-nitrophenyl)sulfonyl]methyl}isoxazole (CAS 303985-32-2), with molecular formula C12H12N2O5S and molecular weight 296.05 g/mol. IUPAC: 3,5-dimethyl-4-[(4-nitrophenyl)sulfonylmethyl]-1,2-oxazole.
Chemical Property Profile of 3,5-Dimethyl-4-{[(4-nitrophenyl)sulfonyl]methyl}isoxazole
Property Insights of 3,5-Dimethyl-4-{[(4-nitrophenyl)sulfonyl]methyl}isoxazole
The XLogP value of 2.17354 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-4-{[(4-nitrophenyl)sulfonyl]methyl}isoxazole. The TPSA of 103.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-4-{[(4-nitrophenyl)sulfonyl]methyl}isoxazole. Following Lipinski's Rule of Five, 3,5-Dimethyl-4-{[(4-nitrophenyl)sulfonyl]methyl}isoxazole has 0 hydrogen bond donor(s) and 6 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-{[(4-nitrophenyl)sulfonyl]methyl}isoxazole?
The CAS number of 3,5-Dimethyl-4-{[(4-nitrophenyl)sulfonyl]methyl}isoxazole is 303985-32-2.
What is the molecular formula of 3,5-Dimethyl-4-{[(4-nitrophenyl)sulfonyl]methyl}isoxazole?
The molecular formula of 3,5-Dimethyl-4-{[(4-nitrophenyl)sulfonyl]methyl}isoxazole is C12H12N2O5S.
What is the molecular weight of 3,5-Dimethyl-4-{[(4-nitrophenyl)sulfonyl]methyl}isoxazole?
The molecular weight of 3,5-Dimethyl-4-{[(4-nitrophenyl)sulfonyl]methyl}isoxazole is 296.05 g/mol.
Where can I buy 3,5-Dimethyl-4-{[(4-nitrophenyl)sulfonyl]methyl}isoxazole?
You can request a quote for 3,5-Dimethyl-4-{[(4-nitrophenyl)sulfonyl]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-{[(4-nitrophenyl)sulfonyl]methyl}isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-4-{[(4-nitrophenyl)sulfonyl]methyl}isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.