But-2-yne-1,4-diyl bis(4-chloro-3-nitrobenzenesulfonate)
TL;DR: But-2-yne-1,4-diyl bis(4-chloro-3-nitrobenzenesulfonate) (CAS 115687-61-1) is a chemical compound with molecular formula C16H10Cl2N2O10S2 and molecular weight 523.9154 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-chloro-3-nitrophenyl)sulfonyloxybut-2-ynyl 4-chloro-3-nitrobenzenesulfonate
Also Known As: Antibiotic U-20,904, but-2-yne-1,4-diyl bis(4-chloro-3-nitrobenzenesulfonate), 4-(4-chloro-3-nitrophenyl)sulfonyloxybut-2-ynyl 4-chloro-3-n, But-2-yne-1,4-diyl bis(4-chloro-3-nitrobenzene-1-sulfonate), 4-(4-chloro-3-nitrophenyl)sulfonyloxybut-2-ynyl 4-chloro-3-nitrobenzenesulfonate
Technical Specifications
| Molecular Formula | C16H10Cl2N2O10S2 |
| Molecular Weight | 523.9154 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 195.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 523.9154 Da |
| Heavy Atoms | 32 |
| Complexity | 893.0 |
| SMILES | C1=CC(=C(C=C1S(=O)(=O)OCC#CCOS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-])Cl |
| InChIKey | GWCWQFFFRJTUKM-UHFFFAOYSA-N |
Chemical Property Profile of But-2-yne-1,4-diyl bis(4-chloro-3-nitrobenzenesulfonate)
Property Insights of But-2-yne-1,4-diyl bis(4-chloro-3-nitrobenzenesulfonate)
The XLogP value of 3.2 indicates that But-2-yne-1,4-diyl bis(4-chloro-3-nitrobenzenesulfonate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 195.0 Ų indicates high polarity, suggesting But-2-yne-1,4-diyl bis(4-chloro-3-nitrobenzenesulfonate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, But-2-yne-1,4-diyl bis(4-chloro-3-nitrobenzenesulfonate) has 0 hydrogen bond donor(s) and 10 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(4-chloro-3-nitrobenzenesulfonate)?
The CAS number of But-2-yne-1,4-diyl bis(4-chloro-3-nitrobenzenesulfonate) is 115687-61-1.
What is the molecular formula of But-2-yne-1,4-diyl bis(4-chloro-3-nitrobenzenesulfonate)?
The molecular formula of But-2-yne-1,4-diyl bis(4-chloro-3-nitrobenzenesulfonate) is C16H10Cl2N2O10S2.
What is the molecular weight of But-2-yne-1,4-diyl bis(4-chloro-3-nitrobenzenesulfonate)?
The molecular weight of But-2-yne-1,4-diyl bis(4-chloro-3-nitrobenzenesulfonate) is 523.9154 g/mol.
Where can I buy But-2-yne-1,4-diyl bis(4-chloro-3-nitrobenzenesulfonate)?
You can request a quote for But-2-yne-1,4-diyl bis(4-chloro-3-nitrobenzenesulfonate) 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(4-chloro-3-nitrobenzenesulfonate)?
Yes, CoreyChem provides custom synthesis services for But-2-yne-1,4-diyl bis(4-chloro-3-nitrobenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.