(E)-3-((4-(cinnamyloxy)but-2-yn-1-yl)dimethylammonio)propane-1-sulfonate
TL;DR: (E)-3-((4-(cinnamyloxy)but-2-yn-1-yl)dimethylammonio)propane-1-sulfonate (CAS 259801-40-6) is a chemical compound with molecular formula C18H25NO4S and molecular weight 351.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[dimethyl-[4-[(E)-3-phenylprop-2-enoxy]but-2-ynyl]azaniumyl]propane-1-sulfonate
Also Known As: (E)-3-((4-(cinnamyloxy)but-2-yn-1-yl)dimethylammonio)propane-1-sulfonate, 3-[dimethyl-[4-[(E)-3-phenylprop-2-enoxy]but-2-ynyl]azaniumyl]propane-1-sulfonate, 3-[dimethyl(4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}but-2-yn-1-yl)ammonio]propane-1-sulfonate, 3-[DIMETHYL(4-{[(2E)-3-PHENYLPROP-2-EN-1-YL]OXY}BUT-2-YN-1-YL)AZANIUMYL]PROPANE-1-SULFONATE
| Molecular Formula | C18H25NO4S |
|---|---|
| Molecular Weight | 351.15 g/mol |
| LogP | 1.7315 |
| Topological Polar Surface Area | 66.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 351.15042 |
| Heavy Atoms | 24 |
| Complexity | 669.96545 |
Chemical Identifiers
| CAS Number | 259801-40-6 |
|---|---|
| SMILES | C[N+](C)(CCCS(=O)(=O)[O-])CC#CCOC/C=C/C1=CC=CC=C1 |
Product Overview
(E)-3-((4-(cinnamyloxy)but-2-yn-1-yl)dimethylammonio)propane-1-sulfonate (CAS 259801-40-6), with molecular formula C18H25NO4S and molecular weight 351.15 g/mol. IUPAC: 3-[dimethyl-[4-[(E)-3-phenylprop-2-enoxy]but-2-ynyl]azaniumyl]propane-1-sulfonate.
Chemical Property Profile of (E)-3-((4-(cinnamyloxy)but-2-yn-1-yl)dimethylammonio)propane-1-sulfonate
Property Insights of (E)-3-((4-(cinnamyloxy)but-2-yn-1-yl)dimethylammonio)propane-1-sulfonate
The XLogP value of 1.7315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-((4-(cinnamyloxy)but-2-yn-1-yl)dimethylammonio)propane-1-sulfonate. The TPSA of 66.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((4-(cinnamyloxy)but-2-yn-1-yl)dimethylammonio)propane-1-sulfonate. Following Lipinski's Rule of Five, (E)-3-((4-(cinnamyloxy)but-2-yn-1-yl)dimethylammonio)propane-1-sulfonate has 0 hydrogen bond donor(s) and 4 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 (E)-3-((4-(cinnamyloxy)but-2-yn-1-yl)dimethylammonio)propane-1-sulfonate?
The CAS number of (E)-3-((4-(cinnamyloxy)but-2-yn-1-yl)dimethylammonio)propane-1-sulfonate is 259801-40-6.
What is the molecular formula of (E)-3-((4-(cinnamyloxy)but-2-yn-1-yl)dimethylammonio)propane-1-sulfonate?
The molecular formula of (E)-3-((4-(cinnamyloxy)but-2-yn-1-yl)dimethylammonio)propane-1-sulfonate is C18H25NO4S.
What is the molecular weight of (E)-3-((4-(cinnamyloxy)but-2-yn-1-yl)dimethylammonio)propane-1-sulfonate?
The molecular weight of (E)-3-((4-(cinnamyloxy)but-2-yn-1-yl)dimethylammonio)propane-1-sulfonate is 351.15 g/mol.
Where can I buy (E)-3-((4-(cinnamyloxy)but-2-yn-1-yl)dimethylammonio)propane-1-sulfonate?
You can request a quote for (E)-3-((4-(cinnamyloxy)but-2-yn-1-yl)dimethylammonio)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 (E)-3-((4-(cinnamyloxy)but-2-yn-1-yl)dimethylammonio)propane-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((4-(cinnamyloxy)but-2-yn-1-yl)dimethylammonio)propane-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.