4-Hydroxy-1,1-dimethylpiperidinium bromide 3-methyl-2-phenylvalerate
TL;DR: 4-Hydroxy-1,1-dimethylpiperidinium bromide 3-methyl-2-phenylvalerate (CAS 100337-63-1) is a chemical compound with molecular formula C19H30BrNO2 and molecular weight 383.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dimethylpiperidin-1-ium-4-yl) 3-methyl-2-phenylpentanoate bromide
Also Known As: 4-Hydroxy-1,1-dimethylpiperidinium bromide 3-methyl-2-phenylvalerate, 1-Methyl-2-((E)-1-phenyl-propenyl)-benzene, Piperidinium, 4-((3-methyl-2-phenylvaleryl)oxy)-1,1-dimethyl-, bromide, Piperidinium, 1,1-dimethyl-4-hydroxy-, bromide, 3-methyl-2-phenylvalerate, Piperidinium,1,1-dimethyl-4-[(3-methyl-1-oxo-2-phenylpentyl)oxy]-, bromide (1:1)
| Molecular Formula | C19H30BrNO2 |
|---|---|
| Molecular Weight | 383.15 g/mol |
| LogP | 0.6023 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.146 |
| Heavy Atoms | 23 |
| Complexity | 479.4028 |
Chemical Identifiers
| CAS Number | 100337-63-1 |
|---|---|
| SMILES | CCC(C)C(C1=CC=CC=C1)C(=O)OC2CC[N+](CC2)(C)C.[Br-] |
Product Overview
4-Hydroxy-1,1-dimethylpiperidinium bromide 3-methyl-2-phenylvalerate (CAS 100337-63-1), with molecular formula C19H30BrNO2 and molecular weight 383.15 g/mol. IUPAC: (1,1-dimethylpiperidin-1-ium-4-yl) 3-methyl-2-phenylpentanoate bromide.
Chemical Property Profile of 4-Hydroxy-1,1-dimethylpiperidinium bromide 3-methyl-2-phenylvalerate
Property Insights of 4-Hydroxy-1,1-dimethylpiperidinium bromide 3-methyl-2-phenylvalerate
The XLogP value of 0.6023 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-1,1-dimethylpiperidinium bromide 3-methyl-2-phenylvalerate. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Hydroxy-1,1-dimethylpiperidinium bromide 3-methyl-2-phenylvalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-1,1-dimethylpiperidinium bromide 3-methyl-2-phenylvalerate 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 4-Hydroxy-1,1-dimethylpiperidinium bromide 3-methyl-2-phenylvalerate?
The CAS number of 4-Hydroxy-1,1-dimethylpiperidinium bromide 3-methyl-2-phenylvalerate is 100337-63-1.
What is the molecular formula of 4-Hydroxy-1,1-dimethylpiperidinium bromide 3-methyl-2-phenylvalerate?
The molecular formula of 4-Hydroxy-1,1-dimethylpiperidinium bromide 3-methyl-2-phenylvalerate is C19H30BrNO2.
What is the molecular weight of 4-Hydroxy-1,1-dimethylpiperidinium bromide 3-methyl-2-phenylvalerate?
The molecular weight of 4-Hydroxy-1,1-dimethylpiperidinium bromide 3-methyl-2-phenylvalerate is 383.15 g/mol.
Where can I buy 4-Hydroxy-1,1-dimethylpiperidinium bromide 3-methyl-2-phenylvalerate?
You can request a quote for 4-Hydroxy-1,1-dimethylpiperidinium bromide 3-methyl-2-phenylvalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-1,1-dimethylpiperidinium bromide 3-methyl-2-phenylvalerate?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-1,1-dimethylpiperidinium bromide 3-methyl-2-phenylvalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.