4-Formyl-1-methyl-4-phenyl-1-(propan-2-yl)piperidin-1-ium iodide
TL;DR: 4-Formyl-1-methyl-4-phenyl-1-(propan-2-yl)piperidin-1-ium iodide (CAS 97595-13-6) is a chemical compound with molecular formula C16H24INO and molecular weight 373.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-phenyl-1-propan-2-ylpiperidin-1-ium-4-carbaldehyde iodide
Also Known As: 2991 I.S., 4-Formyl-1-isopropyl-1-methyl-4-phenylpiperidinium iodide, 2991 I.S, Piperidinium, 4-formyl-1-isopropyl-1-methyl-4-phenyl-, iodide, 4-Formyl-1-methyl-4-phenyl-1-(propan-2-yl)piperidin-1-ium iodide
| Molecular Formula | C16H24INO |
|---|---|
| Molecular Weight | 373.09 g/mol |
| LogP | -0.2239 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.09027 |
| Heavy Atoms | 19 |
| Complexity | 408.01694 |
Chemical Identifiers
| CAS Number | 97595-13-6 |
|---|---|
| SMILES | CC(C)[N+]1(CCC(CC1)(C=O)C2=CC=CC=C2)C.[I-] |
Product Overview
4-Formyl-1-methyl-4-phenyl-1-(propan-2-yl)piperidin-1-ium iodide (CAS 97595-13-6), with molecular formula C16H24INO and molecular weight 373.09 g/mol. IUPAC: 1-methyl-4-phenyl-1-propan-2-ylpiperidin-1-ium-4-carbaldehyde iodide.
Chemical Property Profile of 4-Formyl-1-methyl-4-phenyl-1-(propan-2-yl)piperidin-1-ium iodide
Property Insights of 4-Formyl-1-methyl-4-phenyl-1-(propan-2-yl)piperidin-1-ium iodide
The XLogP value of -0.2239 indicates that 4-Formyl-1-methyl-4-phenyl-1-(propan-2-yl)piperidin-1-ium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 17.07 Ų, 4-Formyl-1-methyl-4-phenyl-1-(propan-2-yl)piperidin-1-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Formyl-1-methyl-4-phenyl-1-(propan-2-yl)piperidin-1-ium iodide 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 4-Formyl-1-methyl-4-phenyl-1-(propan-2-yl)piperidin-1-ium iodide?
The CAS number of 4-Formyl-1-methyl-4-phenyl-1-(propan-2-yl)piperidin-1-ium iodide is 97595-13-6.
What is the molecular formula of 4-Formyl-1-methyl-4-phenyl-1-(propan-2-yl)piperidin-1-ium iodide?
The molecular formula of 4-Formyl-1-methyl-4-phenyl-1-(propan-2-yl)piperidin-1-ium iodide is C16H24INO.
What is the molecular weight of 4-Formyl-1-methyl-4-phenyl-1-(propan-2-yl)piperidin-1-ium iodide?
The molecular weight of 4-Formyl-1-methyl-4-phenyl-1-(propan-2-yl)piperidin-1-ium iodide is 373.09 g/mol.
Where can I buy 4-Formyl-1-methyl-4-phenyl-1-(propan-2-yl)piperidin-1-ium iodide?
You can request a quote for 4-Formyl-1-methyl-4-phenyl-1-(propan-2-yl)piperidin-1-ium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Formyl-1-methyl-4-phenyl-1-(propan-2-yl)piperidin-1-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 4-Formyl-1-methyl-4-phenyl-1-(propan-2-yl)piperidin-1-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.