Piperidinium, 1-(2-cyanoethyl)-1-phenacyl-, bromide
TL;DR: Piperidinium, 1-(2-cyanoethyl)-1-phenacyl-, bromide (CAS 102207-22-7) is a chemical compound with molecular formula C16H21BrN2O and molecular weight 336.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-phenacylpiperidin-1-ium-1-yl)propanenitrile bromide
Also Known As: 1-(2-Cyanoethyl)-1-phenacylpiperidinium bromide, N-Phenacyl-(beta-cyanoethyl)-piperidinium bromide, Piperidinium, 1-(2-cyanoethyl)-1-phenacyl-, bromide, 3-(1-phenacylpiperidin-1-ium-1-yl)propanenitrile bromide, Piperidinium,1-(2-cyanoethyl)-1-(2-oxo-2-phenylethyl)-, bromide (1:1)
| Molecular Formula | C16H21BrN2O |
|---|---|
| Molecular Weight | 336.08 g/mol |
| LogP | -0.21232 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.08374 |
| Heavy Atoms | 20 |
| Complexity | 461.11526 |
Chemical Identifiers
| CAS Number | 102207-22-7 |
|---|---|
| SMILES | C1CC[N+](CC1)(CCC#N)CC(=O)C2=CC=CC=C2.[Br-] |
Product Overview
Piperidinium, 1-(2-cyanoethyl)-1-phenacyl-, bromide (CAS 102207-22-7), with molecular formula C16H21BrN2O and molecular weight 336.08 g/mol. IUPAC: 3-(1-phenacylpiperidin-1-ium-1-yl)propanenitrile bromide.
Chemical Property Profile of Piperidinium, 1-(2-cyanoethyl)-1-phenacyl-, bromide
Property Insights of Piperidinium, 1-(2-cyanoethyl)-1-phenacyl-, bromide
The XLogP value of -0.21232 indicates that Piperidinium, 1-(2-cyanoethyl)-1-phenacyl-, bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.86 Ų, Piperidinium, 1-(2-cyanoethyl)-1-phenacyl-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperidinium, 1-(2-cyanoethyl)-1-phenacyl-, bromide has 0 hydrogen bond donor(s) and 2 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 Piperidinium, 1-(2-cyanoethyl)-1-phenacyl-, bromide?
The CAS number of Piperidinium, 1-(2-cyanoethyl)-1-phenacyl-, bromide is 102207-22-7.
What is the molecular formula of Piperidinium, 1-(2-cyanoethyl)-1-phenacyl-, bromide?
The molecular formula of Piperidinium, 1-(2-cyanoethyl)-1-phenacyl-, bromide is C16H21BrN2O.
What is the molecular weight of Piperidinium, 1-(2-cyanoethyl)-1-phenacyl-, bromide?
The molecular weight of Piperidinium, 1-(2-cyanoethyl)-1-phenacyl-, bromide is 336.08 g/mol.
Where can I buy Piperidinium, 1-(2-cyanoethyl)-1-phenacyl-, bromide?
You can request a quote for Piperidinium, 1-(2-cyanoethyl)-1-phenacyl-, bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperidinium, 1-(2-cyanoethyl)-1-phenacyl-, bromide?
Yes, KEHONG BIO provides custom synthesis services for Piperidinium, 1-(2-cyanoethyl)-1-phenacyl-, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.