Tetramethylenebis(p-nitrobenzenesulfonate)
TL;DR: Tetramethylenebis(p-nitrobenzenesulfonate) (CAS 10154-67-3) is a chemical compound with molecular formula C16H16N2O10S2 and molecular weight 460.02463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-nitrophenyl)sulfonyloxybutyl 4-nitrobenzenesulfonate
Also Known As: Tetramethylenebis(p-nitrobenzenesulfonate), butane-1,4-diyl bis(4-nitrobenzenesulfonate), Benzenesulfonic acid, 1,4-butanediyl ester, Benzenesulfonic acid, 4-nitro-, 1,4-butanediyl ester, Butane-1,4-diyl bis(4-nitrobenzene-1-sulfonate)
Technical Specifications
| Molecular Formula | C16H16N2O10S2 |
| Molecular Weight | 460.02463 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 195.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 460.02463 Da |
| Heavy Atoms | 30 |
| Complexity | 708.0 |
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)OCCCCOS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | IHDDYQPZDSDOCZ-UHFFFAOYSA-N |
Chemical Property Profile of Tetramethylenebis(p-nitrobenzenesulfonate)
Property Insights of Tetramethylenebis(p-nitrobenzenesulfonate)
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetramethylenebis(p-nitrobenzenesulfonate). The TPSA of 195.0 Ų indicates high polarity, suggesting Tetramethylenebis(p-nitrobenzenesulfonate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tetramethylenebis(p-nitrobenzenesulfonate) has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Tetramethylenebis(p-nitrobenzenesulfonate)?
The CAS number of Tetramethylenebis(p-nitrobenzenesulfonate) is 10154-67-3.
What is the molecular formula of Tetramethylenebis(p-nitrobenzenesulfonate)?
The molecular formula of Tetramethylenebis(p-nitrobenzenesulfonate) is C16H16N2O10S2.
What is the molecular weight of Tetramethylenebis(p-nitrobenzenesulfonate)?
The molecular weight of Tetramethylenebis(p-nitrobenzenesulfonate) is 460.02463 g/mol.
Where can I buy Tetramethylenebis(p-nitrobenzenesulfonate)?
You can request a quote for Tetramethylenebis(p-nitrobenzenesulfonate) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tetramethylenebis(p-nitrobenzenesulfonate)?
Yes, CoreyChem provides custom synthesis services for Tetramethylenebis(p-nitrobenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.