![4,8-Bis-(4-methylphenyl)sulfonyl-6-nitro-1,4,8-triazabicyclo[4.3.1]decane structure](/static/products/1627/162710-49-8.webp)
4,8-Bis-(4-methylphenyl)sulfonyl-6-nitro-1,4,8-triazabicyclo[4.3.1]decane
TL;DR: 4,8-Bis-(4-methylphenyl)sulfonyl-6-nitro-1,4,8-triazabicyclo[4.3.1]decane (CAS 162710-49-8) is a chemical compound with molecular formula C21H26N4O6S2 and molecular weight 494.12936 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,8-bis-(4-methylphenyl)sulfonyl-6-nitro-1,4,8-triazabicyclo[4.3.1]decane
Also Known As: BAS 00334596, AE-848/31945047, 6-nitro-4,8-ditosyl-1,4,8-triazabicyclo[4.3.1]decane, 4,8-bis-(4-methylphenyl)sulfonyl-6-nitro-1,4,8-triazabicyclo[4.3.1]decane, 6-Nitro-4,8-bis-(toluene-4-sulfonyl)-1,4,8-triaza-bicyclo[4.3.1]decane
Technical Specifications
| Molecular Formula | C21H26N4O6S2 |
| Molecular Weight | 494.12936 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 494.12936 Da |
| Heavy Atoms | 33 |
| Complexity | 925.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN3CC(C2)(CN(C3)S(=O)(=O)C4=CC=C(C=C4)C)[N+](=O)[O-] |
| InChIKey | XQXYUFLTCDIHGQ-UHFFFAOYSA-N |
Chemical Property Profile of 4,8-Bis-(4-methylphenyl)sulfonyl-6-nitro-1,4,8-triazabicyclo[4.3.1]decane
Property Insights of 4,8-Bis-(4-methylphenyl)sulfonyl-6-nitro-1,4,8-triazabicyclo[4.3.1]decane
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,8-Bis-(4-methylphenyl)sulfonyl-6-nitro-1,4,8-triazabicyclo[4.3.1]decane. The TPSA of 141.0 Ų indicates high polarity, suggesting 4,8-Bis-(4-methylphenyl)sulfonyl-6-nitro-1,4,8-triazabicyclo[4.3.1]decane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,8-Bis-(4-methylphenyl)sulfonyl-6-nitro-1,4,8-triazabicyclo[4.3.1]decane has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,8-Bis-(4-methylphenyl)sulfonyl-6-nitro-1,4,8-triazabicyclo[4.3.1]decane?
The CAS number of 4,8-Bis-(4-methylphenyl)sulfonyl-6-nitro-1,4,8-triazabicyclo[4.3.1]decane is 162710-49-8.
What is the molecular formula of 4,8-Bis-(4-methylphenyl)sulfonyl-6-nitro-1,4,8-triazabicyclo[4.3.1]decane?
The molecular formula of 4,8-Bis-(4-methylphenyl)sulfonyl-6-nitro-1,4,8-triazabicyclo[4.3.1]decane is C21H26N4O6S2.
What is the molecular weight of 4,8-Bis-(4-methylphenyl)sulfonyl-6-nitro-1,4,8-triazabicyclo[4.3.1]decane?
The molecular weight of 4,8-Bis-(4-methylphenyl)sulfonyl-6-nitro-1,4,8-triazabicyclo[4.3.1]decane is 494.12936 g/mol.
Where can I buy 4,8-Bis-(4-methylphenyl)sulfonyl-6-nitro-1,4,8-triazabicyclo[4.3.1]decane?
You can request a quote for 4,8-Bis-(4-methylphenyl)sulfonyl-6-nitro-1,4,8-triazabicyclo[4.3.1]decane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,8-Bis-(4-methylphenyl)sulfonyl-6-nitro-1,4,8-triazabicyclo[4.3.1]decane?
Yes, CoreyChem provides custom synthesis services for 4,8-Bis-(4-methylphenyl)sulfonyl-6-nitro-1,4,8-triazabicyclo[4.3.1]decane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.