Ammonium, (3-butylidyne)dimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)-, p-toluenesulfonate
TL;DR: Ammonium, (3-butylidyne)dimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)-, p-toluenesulfonate (CAS 66967-63-3) is a chemical compound with molecular formula C27H34N2O4S and molecular weight 482.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-acetyl-2-methylindolizin-1-yl)propyl-but-3-ynyl-dimethylazanium;4-methylbenzenesulfonate
Also Known As: Ammonium, (3-butylidyne)dimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)-, p-toluenesulfonate, 1-Indolizineethanaminium, 3-acetyl-N-3-butynyl-N,N,.beta.,2-tetramethyl-, salt with 4-methylbenzenesulfonic acid (1:1), 2-(3-acetyl-2-methyl-indolizin-1-yl)propyl-but-3-ynyl-dimethyl-azanium; 4-methylbenzenesulfonate, 2-(3-acetyl-2-methylindolizin-1-yl)propyl-but-3-ynyl-dimethylazanium; 4-methylbenzenesulfonate, N-[2-(3-Acetyl-2-methylindolizin-1-yl)propyl]-N,N-dimethylbut-3-yn-1-aminium 4-methylbenzene-1-sulfonate
| Molecular Formula | C27H34N2O4S |
|---|---|
| Molecular Weight | 482.22 g/mol |
| LogP | 4.55264 |
| Topological Polar Surface Area | 78.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 482.22394 |
| Heavy Atoms | 34 |
| Complexity | 1296.8889 |
Chemical Identifiers
| CAS Number | 66967-63-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(N2C=CC=CC2=C1C(C)C[N+](C)(C)CCC#C)C(=O)C |
Product Overview
Ammonium, (3-butylidyne)dimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)-, p-toluenesulfonate (CAS 66967-63-3), with molecular formula C27H34N2O4S and molecular weight 482.22 g/mol. IUPAC: 2-(3-acetyl-2-methylindolizin-1-yl)propyl-but-3-ynyl-dimethylazanium;4-methylbenzenesulfonate.
Chemical Property Profile of Ammonium, (3-butylidyne)dimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)-, p-toluenesulfonate
Property Insights of Ammonium, (3-butylidyne)dimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)-, p-toluenesulfonate
The XLogP value of 4.55264 indicates that Ammonium, (3-butylidyne)dimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)-, p-toluenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium, (3-butylidyne)dimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)-, p-toluenesulfonate. Following Lipinski's Rule of Five, Ammonium, (3-butylidyne)dimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)-, p-toluenesulfonate 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 Ammonium, (3-butylidyne)dimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)-, p-toluenesulfonate?
The CAS number of Ammonium, (3-butylidyne)dimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)-, p-toluenesulfonate is 66967-63-3.
What is the molecular formula of Ammonium, (3-butylidyne)dimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)-, p-toluenesulfonate?
The molecular formula of Ammonium, (3-butylidyne)dimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)-, p-toluenesulfonate is C27H34N2O4S.
What is the molecular weight of Ammonium, (3-butylidyne)dimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)-, p-toluenesulfonate?
The molecular weight of Ammonium, (3-butylidyne)dimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)-, p-toluenesulfonate is 482.22 g/mol.
Where can I buy Ammonium, (3-butylidyne)dimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)-, p-toluenesulfonate?
You can request a quote for Ammonium, (3-butylidyne)dimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)-, p-toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (3-butylidyne)dimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)-, p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (3-butylidyne)dimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)-, p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.