N-tert-butyl-1-(2,4-disulfophenyl)methanimine oxide
TL;DR: N-tert-butyl-1-(2,4-disulfophenyl)methanimine oxide (CAS 168021-77-0) is a chemical compound with molecular formula C11H15NO7S2 and molecular weight 337.029 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-tert-butyl-1-(2,4-disulfophenyl)methanimine oxide
Also Known As: Disufenton, 2,4-disulfonyl PBN, 2,4-disulfophenyl-N-t-butylnitrone, 2,4-disulfonyl-alpha-phenyl-tert-butylnitrone, alpha-(2,4-disulfophenyl)-N-tert-butylnitrone
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H15NO7S2 |
| Molecular Weight | 337.029 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.029 Da |
| Heavy Atoms | 21 |
| Complexity | 604.0 |
| SMILES | CC(C)(C)[N+](=CC1=C(C=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)[O-] |
| InChIKey | OVTCHWSLKGENKP-UHFFFAOYSA-N |
Chemical Property Profile of N-tert-butyl-1-(2,4-disulfophenyl)methanimine oxide
Property Insights of N-tert-butyl-1-(2,4-disulfophenyl)methanimine oxide
The XLogP value of -0.6 indicates that N-tert-butyl-1-(2,4-disulfophenyl)methanimine oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.0 Ų indicates high polarity, suggesting N-tert-butyl-1-(2,4-disulfophenyl)methanimine oxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-tert-butyl-1-(2,4-disulfophenyl)methanimine oxide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-tert-butyl-1-(2,4-disulfophenyl)methanimine oxide?
The CAS number of N-tert-butyl-1-(2,4-disulfophenyl)methanimine oxide is 168021-77-0.
What is the molecular formula of N-tert-butyl-1-(2,4-disulfophenyl)methanimine oxide?
The molecular formula of N-tert-butyl-1-(2,4-disulfophenyl)methanimine oxide is C11H15NO7S2.
What is the molecular weight of N-tert-butyl-1-(2,4-disulfophenyl)methanimine oxide?
The molecular weight of N-tert-butyl-1-(2,4-disulfophenyl)methanimine oxide is 337.029 g/mol.
Where can I buy N-tert-butyl-1-(2,4-disulfophenyl)methanimine oxide?
You can request a quote for N-tert-butyl-1-(2,4-disulfophenyl)methanimine oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-tert-butyl-1-(2,4-disulfophenyl)methanimine oxide?
Yes, CoreyChem provides custom synthesis services for N-tert-butyl-1-(2,4-disulfophenyl)methanimine oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.