Piperazinium, 4-butyl-1-methyl-1-(alpha-methylphenethyl)-, bromide
TL;DR: Piperazinium, 4-butyl-1-methyl-1-(alpha-methylphenethyl)-, bromide (CAS 67361-10-8) is a chemical compound with molecular formula C18H31BrN2 and molecular weight 354.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-1-methyl-1-(1-phenylpropan-2-yl)piperazin-1-ium bromide
Also Known As: 4-Butyl-1-methyl-1-(alpha-methylphenethyl)piperazinium bromide, Piperazinium, 4-butyl-1-methyl-1-(alpha-methylphenethyl)-, bromide, 4-butyl-1-methyl-1-(1-phenylpropan-2-yl)piperazin-1-ium bromide, Piperazinium, 4-butyl-1-methyl-1-(1-methyl-2-phenylethyl)-, bromide, RefChem:1096086
| Molecular Formula | C18H31BrN2 |
|---|---|
| Molecular Weight | 354.17 g/mol |
| LogP | 0.1839 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.16705 |
| Heavy Atoms | 21 |
| Complexity | 385.46463 |
Chemical Identifiers
| CAS Number | 67361-10-8 |
|---|---|
| SMILES | CCCCN1CC[N+](CC1)(C)C(C)CC2=CC=CC=C2.[Br-] |
Product Overview
Piperazinium, 4-butyl-1-methyl-1-(alpha-methylphenethyl)-, bromide (CAS 67361-10-8), with molecular formula C18H31BrN2 and molecular weight 354.17 g/mol. IUPAC: 4-butyl-1-methyl-1-(1-phenylpropan-2-yl)piperazin-1-ium bromide.
Chemical Property Profile of Piperazinium, 4-butyl-1-methyl-1-(alpha-methylphenethyl)-, bromide
Property Insights of Piperazinium, 4-butyl-1-methyl-1-(alpha-methylphenethyl)-, bromide
The XLogP value of 0.1839 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazinium, 4-butyl-1-methyl-1-(alpha-methylphenethyl)-, bromide. With a topological polar surface area (TPSA) of 3.24 Ų, Piperazinium, 4-butyl-1-methyl-1-(alpha-methylphenethyl)-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazinium, 4-butyl-1-methyl-1-(alpha-methylphenethyl)-, 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 Piperazinium, 4-butyl-1-methyl-1-(alpha-methylphenethyl)-, bromide?
The CAS number of Piperazinium, 4-butyl-1-methyl-1-(alpha-methylphenethyl)-, bromide is 67361-10-8.
What is the molecular formula of Piperazinium, 4-butyl-1-methyl-1-(alpha-methylphenethyl)-, bromide?
The molecular formula of Piperazinium, 4-butyl-1-methyl-1-(alpha-methylphenethyl)-, bromide is C18H31BrN2.
What is the molecular weight of Piperazinium, 4-butyl-1-methyl-1-(alpha-methylphenethyl)-, bromide?
The molecular weight of Piperazinium, 4-butyl-1-methyl-1-(alpha-methylphenethyl)-, bromide is 354.17 g/mol.
Where can I buy Piperazinium, 4-butyl-1-methyl-1-(alpha-methylphenethyl)-, bromide?
You can request a quote for Piperazinium, 4-butyl-1-methyl-1-(alpha-methylphenethyl)-, bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperazinium, 4-butyl-1-methyl-1-(alpha-methylphenethyl)-, bromide?
Yes, KEHONG BIO provides custom synthesis services for Piperazinium, 4-butyl-1-methyl-1-(alpha-methylphenethyl)-, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.