But-2-yne-1,4-diyl bis(2,5-dibromobenzenesulfonate)
TL;DR: But-2-yne-1,4-diyl bis(2,5-dibromobenzenesulfonate) (CAS 109553-07-3) is a chemical compound with molecular formula C16H10Br4O6S2 and molecular weight 677.6652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2,5-dibromophenyl)sulfonyloxybut-2-ynyl 2,5-dibromobenzenesulfonate
Also Known As: but-2-yne-1,4-diyl bis(2,5-dibromobenzenesulfonate), But-2-yne-1,4-diyl bis(2,5-dibromobenzene-1-sulfonate), 4-(2,5-dibromophenyl)sulfonyloxybut-2-ynyl 2,5-dibromobenzenesulfonate, Benzenesulfonic acid, 2,5-dibromo-, 2-butynylene ester (7CI,8CI), Benzenesulfonic acid,2,5-dibromo-, 2-butynylene ester (7CI,8CI)
Technical Specifications
| Molecular Formula | C16H10Br4O6S2 |
| Molecular Weight | 677.6652 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 677.6652 Da |
| Heavy Atoms | 28 |
| Complexity | 728.0 |
| SMILES | C1=CC(=C(C=C1Br)S(=O)(=O)OCC#CCOS(=O)(=O)C2=C(C=CC(=C2)Br)Br)Br |
| InChIKey | IJMTZNQQTBFVAE-UHFFFAOYSA-N |
Chemical Property Profile of But-2-yne-1,4-diyl bis(2,5-dibromobenzenesulfonate)
Property Insights of But-2-yne-1,4-diyl bis(2,5-dibromobenzenesulfonate)
The XLogP value of 5.0 indicates that But-2-yne-1,4-diyl bis(2,5-dibromobenzenesulfonate) 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 But-2-yne-1,4-diyl bis(2,5-dibromobenzenesulfonate). Following Lipinski's Rule of Five, But-2-yne-1,4-diyl bis(2,5-dibromobenzenesulfonate) 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 But-2-yne-1,4-diyl bis(2,5-dibromobenzenesulfonate)?
The CAS number of But-2-yne-1,4-diyl bis(2,5-dibromobenzenesulfonate) is 109553-07-3.
What is the molecular formula of But-2-yne-1,4-diyl bis(2,5-dibromobenzenesulfonate)?
The molecular formula of But-2-yne-1,4-diyl bis(2,5-dibromobenzenesulfonate) is C16H10Br4O6S2.
What is the molecular weight of But-2-yne-1,4-diyl bis(2,5-dibromobenzenesulfonate)?
The molecular weight of But-2-yne-1,4-diyl bis(2,5-dibromobenzenesulfonate) is 677.6652 g/mol.
Where can I buy But-2-yne-1,4-diyl bis(2,5-dibromobenzenesulfonate)?
You can request a quote for But-2-yne-1,4-diyl bis(2,5-dibromobenzenesulfonate) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for But-2-yne-1,4-diyl bis(2,5-dibromobenzenesulfonate)?
Yes, CoreyChem provides custom synthesis services for But-2-yne-1,4-diyl bis(2,5-dibromobenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.