1-(3-Cyano-3,3-diphenylpropyl)-1-methyl-piperidinium Bromide
TL;DR: 1-(3-Cyano-3,3-diphenylpropyl)-1-methyl-piperidinium Bromide (CAS 111979-87-4) is a chemical compound with molecular formula C22H27BrN2 and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanenitrile bromide
Also Known As: NIOSH/TN4724040, 1-(3-Cyano-3,3-diphenylpropyl)-1-methyl-piperidinium Bromide, 1-(3-Cyano-3,3-diphenylpropyl)-1-methylpiperidinium bromide, 4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanenitrile bromide, Piperidinium, 1-(3-cyano-3,3-diphenylpropyl)-1-methyl-, bromide
| Molecular Formula | C22H27BrN2 |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 1.52088 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.13577 |
| Heavy Atoms | 25 |
| Complexity | 645.4721 |
Chemical Identifiers
| CAS Number | 111979-87-4 |
|---|---|
| SMILES | C[N+]1(CCCCC1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-] |
Product Overview
1-(3-Cyano-3,3-diphenylpropyl)-1-methyl-piperidinium Bromide (CAS 111979-87-4), with molecular formula C22H27BrN2 and molecular weight 398.14 g/mol. IUPAC: 4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanenitrile bromide.
Chemical Property Profile of 1-(3-Cyano-3,3-diphenylpropyl)-1-methyl-piperidinium Bromide
Property Insights of 1-(3-Cyano-3,3-diphenylpropyl)-1-methyl-piperidinium Bromide
The XLogP value of 1.52088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Cyano-3,3-diphenylpropyl)-1-methyl-piperidinium Bromide. With a topological polar surface area (TPSA) of 23.79 Ų, 1-(3-Cyano-3,3-diphenylpropyl)-1-methyl-piperidinium Bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Cyano-3,3-diphenylpropyl)-1-methyl-piperidinium Bromide has 0 hydrogen bond donor(s) and 1 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-(3-Cyano-3,3-diphenylpropyl)-1-methyl-piperidinium Bromide?
The CAS number of 1-(3-Cyano-3,3-diphenylpropyl)-1-methyl-piperidinium Bromide is 111979-87-4.
What is the molecular formula of 1-(3-Cyano-3,3-diphenylpropyl)-1-methyl-piperidinium Bromide?
The molecular formula of 1-(3-Cyano-3,3-diphenylpropyl)-1-methyl-piperidinium Bromide is C22H27BrN2.
What is the molecular weight of 1-(3-Cyano-3,3-diphenylpropyl)-1-methyl-piperidinium Bromide?
The molecular weight of 1-(3-Cyano-3,3-diphenylpropyl)-1-methyl-piperidinium Bromide is 398.14 g/mol.
Where can I buy 1-(3-Cyano-3,3-diphenylpropyl)-1-methyl-piperidinium Bromide?
You can request a quote for 1-(3-Cyano-3,3-diphenylpropyl)-1-methyl-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-(3-Cyano-3,3-diphenylpropyl)-1-methyl-piperidinium Bromide?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Cyano-3,3-diphenylpropyl)-1-methyl-piperidinium Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.