1-(3,3-Diphenyl-3-hydroxypropyl)-1-methylpiperidinium iodide
TL;DR: 1-(3,3-Diphenyl-3-hydroxypropyl)-1-methylpiperidinium iodide (CAS 70445-50-0) is a chemical compound with molecular formula C21H28INO and molecular weight 437.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-methylpiperidin-1-ium-1-yl)-1,1-diphenylpropan-1-ol iodide
Also Known As: NIOSH/TN5045000, 1-(3,3-Diphenyl-3-hydroxypropyl)-1-methylpiperidinium iodide, 3-(1-methylpiperidin-1-ium-1-yl)-1,1-diphenylpropan-1-ol;iodide, 3-(1-methylpiperidin-1-ium-1-yl)-1,1-diphenylpropan-1-ol iodide, Piperidinium, 1-(3,3-diphenyl-3-hydroxypropyl)-1-methyl-, iodide
| Molecular Formula | C21H28INO |
|---|---|
| Molecular Weight | 437.12 g/mol |
| LogP | 0.9471 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.12155 |
| Heavy Atoms | 24 |
| Complexity | 568.75055 |
Chemical Identifiers
| CAS Number | 70445-50-0 |
|---|---|
| SMILES | C[N+]1(CCCCC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O.[I-] |
Product Overview
1-(3,3-Diphenyl-3-hydroxypropyl)-1-methylpiperidinium iodide (CAS 70445-50-0), with molecular formula C21H28INO and molecular weight 437.12 g/mol. IUPAC: 3-(1-methylpiperidin-1-ium-1-yl)-1,1-diphenylpropan-1-ol iodide.
Chemical Property Profile of 1-(3,3-Diphenyl-3-hydroxypropyl)-1-methylpiperidinium iodide
Property Insights of 1-(3,3-Diphenyl-3-hydroxypropyl)-1-methylpiperidinium iodide
The XLogP value of 0.9471 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,3-Diphenyl-3-hydroxypropyl)-1-methylpiperidinium iodide. With a topological polar surface area (TPSA) of 20.23 Ų, 1-(3,3-Diphenyl-3-hydroxypropyl)-1-methylpiperidinium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,3-Diphenyl-3-hydroxypropyl)-1-methylpiperidinium iodide has 1 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-(3,3-Diphenyl-3-hydroxypropyl)-1-methylpiperidinium iodide?
The CAS number of 1-(3,3-Diphenyl-3-hydroxypropyl)-1-methylpiperidinium iodide is 70445-50-0.
What is the molecular formula of 1-(3,3-Diphenyl-3-hydroxypropyl)-1-methylpiperidinium iodide?
The molecular formula of 1-(3,3-Diphenyl-3-hydroxypropyl)-1-methylpiperidinium iodide is C21H28INO.
What is the molecular weight of 1-(3,3-Diphenyl-3-hydroxypropyl)-1-methylpiperidinium iodide?
The molecular weight of 1-(3,3-Diphenyl-3-hydroxypropyl)-1-methylpiperidinium iodide is 437.12 g/mol.
Where can I buy 1-(3,3-Diphenyl-3-hydroxypropyl)-1-methylpiperidinium iodide?
You can request a quote for 1-(3,3-Diphenyl-3-hydroxypropyl)-1-methylpiperidinium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,3-Diphenyl-3-hydroxypropyl)-1-methylpiperidinium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,3-Diphenyl-3-hydroxypropyl)-1-methylpiperidinium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.