(2E)-2-(1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-ylidene)-1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-one
TL;DR: (2E)-2-(1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-ylidene)-1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-one (CAS 7599-29-3) is a chemical compound with molecular formula C38H42N2O+2 and molecular weight 542.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-ylidene)-1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-one
Also Known As: (2E)-2-(1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-ylidene)-1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-one, 2-(1,1-Dimethyl-4,4-diphenylpiperidin-1-ium-3-ylidene)-1,1-dimethyl-3-oxo-4,4-diphenylpiperidin-1-ium, 2-(1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-ylidene)-1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-one
| Molecular Formula | C38H42N2O+2 |
|---|---|
| Molecular Weight | 542.33 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 542.3297 |
| Heavy Atoms | 41 |
| Complexity | 915.0 |
Chemical Identifiers
| CAS Number | 7599-29-3 |
|---|---|
| SMILES | C[N+]1(CCC(C(=C2C(=O)C(CC[N+]2(C)C)(C3=CC=CC=C3)C4=CC=CC=C4)C1)(C5=CC=CC=C5)C6=CC=CC=C6)C |
| InChIKey | MLMIZOGUARCVKA-UHFFFAOYSA-N |
Product Overview
(2E)-2-(1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-ylidene)-1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-one (CAS 7599-29-3), with molecular formula C38H42N2O+2 and molecular weight 542.33 g/mol. IUPAC: 2-(1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-ylidene)-1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-one.
Chemical Property Profile of (2E)-2-(1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-ylidene)-1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-one
Property Insights of (2E)-2-(1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-ylidene)-1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-one
The XLogP value of 6.9 indicates that (2E)-2-(1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-ylidene)-1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, (2E)-2-(1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-ylidene)-1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-(1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-ylidene)-1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-one has 0 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 (2E)-2-(1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-ylidene)-1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-one?
The CAS number of (2E)-2-(1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-ylidene)-1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-one is 7599-29-3.
What is the molecular formula of (2E)-2-(1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-ylidene)-1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-one?
The molecular formula of (2E)-2-(1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-ylidene)-1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-one is C38H42N2O+2.
What is the molecular weight of (2E)-2-(1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-ylidene)-1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-one?
The molecular weight of (2E)-2-(1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-ylidene)-1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-one is 542.33 g/mol.
Where can I buy (2E)-2-(1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-ylidene)-1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-one?
You can request a quote for (2E)-2-(1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-ylidene)-1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-(1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-ylidene)-1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-ylidene)-1,1-dimethyl-4,4-diphenylpiperidin-1-ium-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.