1-Allyl-1-(3-phenyl-prop-2-yn-1-yl)piperidinium bromide
TL;DR: 1-Allyl-1-(3-phenyl-prop-2-yn-1-yl)piperidinium bromide (CAS 464156-57-8) is a chemical compound with molecular formula C17H22BrN and molecular weight 319.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-phenylprop-2-ynyl)-1-prop-2-enylpiperidin-1-ium bromide
Also Known As: 1-allyl-1-(3-phenyl-prop-2-yn-1-yl)piperidinium bromide, 1-(3-phenylprop-2-ynyl)-1-prop-2-enylpiperidin-1-ium bromide, 1-(3-phenylprop-2-ynyl)-1-prop-2-enylpiperidin-1-ium;bromide, 1-allyl-1-(3-phenylprop-2-yn-1-yl)piperidin-1-ium bromide, 1-(3-phenylprop-2-ynyl)-1-prop-2-enyl-3,4,5,6-tetrahydro-2H-pyridine Bromide
| Molecular Formula | C17H22BrN |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 0.2288 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.09357 |
| Heavy Atoms | 19 |
| Complexity | 435.325 |
Chemical Identifiers
| CAS Number | 464156-57-8 |
|---|---|
| SMILES | C=CC[N+]1(CCCCC1)CC#CC2=CC=CC=C2.[Br-] |
Product Overview
1-Allyl-1-(3-phenyl-prop-2-yn-1-yl)piperidinium bromide (CAS 464156-57-8), with molecular formula C17H22BrN and molecular weight 319.09 g/mol. IUPAC: 1-(3-phenylprop-2-ynyl)-1-prop-2-enylpiperidin-1-ium bromide.
Chemical Property Profile of 1-Allyl-1-(3-phenyl-prop-2-yn-1-yl)piperidinium bromide
Property Insights of 1-Allyl-1-(3-phenyl-prop-2-yn-1-yl)piperidinium bromide
The XLogP value of 0.2288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Allyl-1-(3-phenyl-prop-2-yn-1-yl)piperidinium bromide. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Allyl-1-(3-phenyl-prop-2-yn-1-yl)piperidinium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allyl-1-(3-phenyl-prop-2-yn-1-yl)piperidinium bromide has 0 hydrogen bond donor(s) and 0 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 1-Allyl-1-(3-phenyl-prop-2-yn-1-yl)piperidinium bromide?
The CAS number of 1-Allyl-1-(3-phenyl-prop-2-yn-1-yl)piperidinium bromide is 464156-57-8.
What is the molecular formula of 1-Allyl-1-(3-phenyl-prop-2-yn-1-yl)piperidinium bromide?
The molecular formula of 1-Allyl-1-(3-phenyl-prop-2-yn-1-yl)piperidinium bromide is C17H22BrN.
What is the molecular weight of 1-Allyl-1-(3-phenyl-prop-2-yn-1-yl)piperidinium bromide?
The molecular weight of 1-Allyl-1-(3-phenyl-prop-2-yn-1-yl)piperidinium bromide is 319.09 g/mol.
Where can I buy 1-Allyl-1-(3-phenyl-prop-2-yn-1-yl)piperidinium bromide?
You can request a quote for 1-Allyl-1-(3-phenyl-prop-2-yn-1-yl)piperidinium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Allyl-1-(3-phenyl-prop-2-yn-1-yl)piperidinium bromide?
Yes, KEHONG BIO provides custom synthesis services for 1-Allyl-1-(3-phenyl-prop-2-yn-1-yl)piperidinium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.