Tetramethylenebis(m-nitrogenzenesulfonate)
TL;DR: Tetramethylenebis(m-nitrogenzenesulfonate) (CAS 6953-06-6) is a chemical compound with molecular formula C16H16N2O10S2 and molecular weight 460.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-nitrophenyl)sulfonyloxybutyl 3-nitrobenzenesulfonate
Also Known As: S-Acetylmercaptosuccinic anhydride, Tetramethylenebis(m-nitrogenzenesulfonate), butane-1,4-diyl bis(3-nitrobenzenesulfonate), Benzenesulfonic acid, 1,4-butanediyl ester, Butane-1,4-diyl bis(3-nitrobenzene-1-sulfonate)
| Molecular Formula | C16H16N2O10S2 |
|---|---|
| Molecular Weight | 460.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 460.02463 |
| Heavy Atoms | 30 |
| Complexity | 724.0 |
Chemical Identifiers
| CAS Number | 6953-06-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)OCCCCOS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | UKQSJULXYUUUFU-UHFFFAOYSA-N |
Product Overview
Tetramethylenebis(m-nitrogenzenesulfonate) (CAS 6953-06-6), with molecular formula C16H16N2O10S2 and molecular weight 460.02 g/mol. IUPAC: 4-(3-nitrophenyl)sulfonyloxybutyl 3-nitrobenzenesulfonate.
Chemical Property Profile of Tetramethylenebis(m-nitrogenzenesulfonate)
Property Insights of Tetramethylenebis(m-nitrogenzenesulfonate)
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetramethylenebis(m-nitrogenzenesulfonate). The TPSA of 195.0 Ų indicates high polarity, suggesting Tetramethylenebis(m-nitrogenzenesulfonate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tetramethylenebis(m-nitrogenzenesulfonate) 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
Frequently Asked Questions
What is the CAS number of Tetramethylenebis(m-nitrogenzenesulfonate)?
The CAS number of Tetramethylenebis(m-nitrogenzenesulfonate) is 6953-06-6.
What is the molecular formula of Tetramethylenebis(m-nitrogenzenesulfonate)?
The molecular formula of Tetramethylenebis(m-nitrogenzenesulfonate) is C16H16N2O10S2.
What is the molecular weight of Tetramethylenebis(m-nitrogenzenesulfonate)?
The molecular weight of Tetramethylenebis(m-nitrogenzenesulfonate) is 460.02 g/mol.
Where can I buy Tetramethylenebis(m-nitrogenzenesulfonate)?
You can request a quote for Tetramethylenebis(m-nitrogenzenesulfonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetramethylenebis(m-nitrogenzenesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for Tetramethylenebis(m-nitrogenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.