![3-[4-(2-Cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate structure](/static/products/2727/272769-93-4.webp)
3-[4-(2-Cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate
TL;DR: 3-[4-(2-Cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate (CAS 272769-93-4) is a chemical compound with molecular formula C12H20N2O4S and molecular weight 288.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2-cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate
Also Known As: 3-((4-(2-Cyanoethoxy)but-2-yn-1-yl)dimethylammonio)propane-1-sulfonate, 3-[4-(2-cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate, 3-{[4-(2-cyanoethoxy)but-2-yn-1-yl](dimethyl)ammonio}propane-1-sulfonate, 3-((4-(2-Cyanoethoxy)but-2-yn-1-yl)dimethylammonio)propane-1-sulfonat, 3-{[4-(2-cyanoethoxy)but-2-yn-1-yl]dimethylaminio}propane-1-sulfonate
| Molecular Formula | C12H20N2O4S |
|---|---|
| Molecular Weight | 288.11 g/mol |
| LogP | -0.06822 |
| Topological Polar Surface Area | 90.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 288.11438 |
| Heavy Atoms | 19 |
| Complexity | 454.34662 |
Chemical Identifiers
| CAS Number | 272769-93-4 |
|---|---|
| SMILES | C[N+](C)(CCCS(=O)(=O)[O-])CC#CCOCCC#N |
Product Overview
3-[4-(2-Cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate (CAS 272769-93-4), with molecular formula C12H20N2O4S and molecular weight 288.11 g/mol. IUPAC: 3-[4-(2-cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate.
Chemical Property Profile of 3-[4-(2-Cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate
Property Insights of 3-[4-(2-Cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate
The XLogP value of -0.06822 indicates that 3-[4-(2-Cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(2-Cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate. Following Lipinski's Rule of Five, 3-[4-(2-Cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate has 0 hydrogen bond donor(s) and 5 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 3-[4-(2-Cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate?
The CAS number of 3-[4-(2-Cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate is 272769-93-4.
What is the molecular formula of 3-[4-(2-Cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate?
The molecular formula of 3-[4-(2-Cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate is C12H20N2O4S.
What is the molecular weight of 3-[4-(2-Cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate?
The molecular weight of 3-[4-(2-Cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate is 288.11 g/mol.
Where can I buy 3-[4-(2-Cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate?
You can request a quote for 3-[4-(2-Cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(2-Cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(2-Cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.