4-(4-Bromophenyl)sulfonyloxybut-2-ynyl 4-bromobenzenesulfonate
TL;DR: 4-(4-Bromophenyl)sulfonyloxybut-2-ynyl 4-bromobenzenesulfonate (CAS 109653-47-6) is a chemical compound with molecular formula C16H12Br2O6S2 and molecular weight 521.84424 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-bromophenyl)sulfonyloxybut-2-ynyl 4-bromobenzenesulfonate
Also Known As: formaldehyde ethanol hemiacetal, but-2-yne-1,4-diyl bis(4-bromobenzenesulfonate), 1-Azabicyclo[2.2.2]octan-2-amine(9CI), 4-(4-bromophenyl)sulfonyloxybut-2-ynyl 4-bromobenzenesulfonate, But-2-yne-1,4-diyl bis(4-bromobenzene-1-sulfonate)
Technical Specifications
| Molecular Formula | C16H12Br2O6S2 |
| Molecular Weight | 521.84424 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.84424 Da |
| Heavy Atoms | 26 |
| Complexity | 650.0 |
| SMILES | C1=CC(=CC=C1S(=O)(=O)OCC#CCOS(=O)(=O)C2=CC=C(C=C2)Br)Br |
| InChIKey | OXJRVXPROOBDCV-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Bromophenyl)sulfonyloxybut-2-ynyl 4-bromobenzenesulfonate
Property Insights of 4-(4-Bromophenyl)sulfonyloxybut-2-ynyl 4-bromobenzenesulfonate
The XLogP value of 3.6 indicates that 4-(4-Bromophenyl)sulfonyloxybut-2-ynyl 4-bromobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Bromophenyl)sulfonyloxybut-2-ynyl 4-bromobenzenesulfonate. Following Lipinski's Rule of Five, 4-(4-Bromophenyl)sulfonyloxybut-2-ynyl 4-bromobenzenesulfonate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-(4-Bromophenyl)sulfonyloxybut-2-ynyl 4-bromobenzenesulfonate?
The CAS number of 4-(4-Bromophenyl)sulfonyloxybut-2-ynyl 4-bromobenzenesulfonate is 109653-47-6.
What is the molecular formula of 4-(4-Bromophenyl)sulfonyloxybut-2-ynyl 4-bromobenzenesulfonate?
The molecular formula of 4-(4-Bromophenyl)sulfonyloxybut-2-ynyl 4-bromobenzenesulfonate is C16H12Br2O6S2.
What is the molecular weight of 4-(4-Bromophenyl)sulfonyloxybut-2-ynyl 4-bromobenzenesulfonate?
The molecular weight of 4-(4-Bromophenyl)sulfonyloxybut-2-ynyl 4-bromobenzenesulfonate is 521.84424 g/mol.
Where can I buy 4-(4-Bromophenyl)sulfonyloxybut-2-ynyl 4-bromobenzenesulfonate?
You can request a quote for 4-(4-Bromophenyl)sulfonyloxybut-2-ynyl 4-bromobenzenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Bromophenyl)sulfonyloxybut-2-ynyl 4-bromobenzenesulfonate?
Yes, CoreyChem provides custom synthesis services for 4-(4-Bromophenyl)sulfonyloxybut-2-ynyl 4-bromobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.