1-Butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-1-propanol methiodide
TL;DR: 1-Butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-1-propanol methiodide (CAS 72050-87-4) is a chemical compound with molecular formula C27H42I2N2O and molecular weight 664.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diphenyl-2-[(1,4,4-trimethylpiperazine-1,4-diium-1-yl)methyl]heptan-3-ol diiodide
Also Known As: 1-Butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-1-propanol methiodide, 1-Piperazinepropanol, beta-benzyl-alpha-butyl-4-methyl-alpha-phenyl-, methiodide, beta-Benzyl-alpha-butyl-4-methyl-alpha-phenyl-1-piperazinepropanol methiodide, 1-Propanol, 1-butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-, methiodide, Piperazinium, 1-(2-benzyl-3-hydroxy-3-phenylheptyl)-1,4,4-trimethyl-, diiodide
| Molecular Formula | C27H42I2N2O |
|---|---|
| Molecular Weight | 664.14 g/mol |
| LogP | -1.5321 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 9 |
| Exact Mass | 664.1387 |
| Heavy Atoms | 32 |
| Complexity | 774.75806 |
Chemical Identifiers
| CAS Number | 72050-87-4 |
|---|---|
| SMILES | CCCCC(C1=CC=CC=C1)(C(CC2=CC=CC=C2)C[N+]3(CC[N+](CC3)(C)C)C)O.[I-].[I-] |
Product Overview
1-Butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-1-propanol methiodide (CAS 72050-87-4), with molecular formula C27H42I2N2O and molecular weight 664.14 g/mol. IUPAC: 1,3-diphenyl-2-[(1,4,4-trimethylpiperazine-1,4-diium-1-yl)methyl]heptan-3-ol diiodide.
Chemical Property Profile of 1-Butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-1-propanol methiodide
Property Insights of 1-Butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-1-propanol methiodide
The XLogP value of -1.5321 indicates that 1-Butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-1-propanol methiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.23 Ų, 1-Butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-1-propanol methiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-1-propanol methiodide has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-1-propanol methiodide?
The CAS number of 1-Butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-1-propanol methiodide is 72050-87-4.
What is the molecular formula of 1-Butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-1-propanol methiodide?
The molecular formula of 1-Butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-1-propanol methiodide is C27H42I2N2O.
What is the molecular weight of 1-Butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-1-propanol methiodide?
The molecular weight of 1-Butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-1-propanol methiodide is 664.14 g/mol.
Where can I buy 1-Butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-1-propanol methiodide?
You can request a quote for 1-Butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-1-propanol methiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-1-propanol methiodide?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-1-propanol methiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.