Isonipecotic acid, 4-phenyl-1-(beta-piperidinophenethyl)-, ethyl ester, maleate (1:2)
TL;DR: Isonipecotic acid, 4-phenyl-1-(beta-piperidinophenethyl)-, ethyl ester, maleate (1:2) (CAS 14771-43-8) is a chemical compound with molecular formula C35H44N2O10 and molecular weight 652.2996 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-phenyl-1-(2-phenyl-2-piperidin-1-ium-1-ylethyl)piperidin-1-ium-4-carboxylate;bis((Z)-4-hydroxy-4-oxobut-2-enoate)
Also Known As: Isonipecotic acid, 4-phenyl-1-(beta-piperidinophenethyl)-, ethyl ester, maleate (1:2), 1-(2-Phenyl-2-piperidinoaethyl)-4-aethoxycarbonyl-4-phenylpiperidin di(hydrogenmaleat), 4-Phenyl-1-(beta-piperidinophenethyl)isonipecotic acid ethyl ester maleate (1:2), ethyl 4-phenyl-1-(2-phenyl-2-piperidin-1-ium-1-ylethyl)piperidin-1-ium-4-carboxylate; (Z)-4-hydroxy-4-oxobut-2-enoate
Technical Specifications
| Molecular Formula | C35H44N2O10 |
| Molecular Weight | 652.2996 g/mol |
| XLogP | -1.2695 |
| Topological Polar Surface Area (TPSA) | 190.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 652.2996 Da |
| Heavy Atoms | 47 |
| Complexity | 669.0 |
| SMILES | CCOC(=O)C1(CC[NH+](CC1)CC([NH+]2CCCCC2)C3=CC=CC=C3)C4=CC=CC=C4.C(=C\C(=O)[O-])\C(=O)O.C(=C\C(=O)[O-])\C(=O)O |
| InChIKey | NXNHJLGLNYEIEH-SPIKMXEPSA-N |
Chemical Property Profile of Isonipecotic acid, 4-phenyl-1-(beta-piperidinophenethyl)-, ethyl ester, maleate (1:2)
Property Insights of Isonipecotic acid, 4-phenyl-1-(beta-piperidinophenethyl)-, ethyl ester, maleate (1:2)
The XLogP value of -1.2695 indicates that Isonipecotic acid, 4-phenyl-1-(beta-piperidinophenethyl)-, ethyl ester, maleate (1:2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 190.0 Ų indicates high polarity, suggesting Isonipecotic acid, 4-phenyl-1-(beta-piperidinophenethyl)-, ethyl ester, maleate (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isonipecotic acid, 4-phenyl-1-(beta-piperidinophenethyl)-, ethyl ester, maleate (1:2) has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Isonipecotic acid, 4-phenyl-1-(beta-piperidinophenethyl)-, ethyl ester, maleate (1:2)?
The CAS number of Isonipecotic acid, 4-phenyl-1-(beta-piperidinophenethyl)-, ethyl ester, maleate (1:2) is 14771-43-8.
What is the molecular formula of Isonipecotic acid, 4-phenyl-1-(beta-piperidinophenethyl)-, ethyl ester, maleate (1:2)?
The molecular formula of Isonipecotic acid, 4-phenyl-1-(beta-piperidinophenethyl)-, ethyl ester, maleate (1:2) is C35H44N2O10.
What is the molecular weight of Isonipecotic acid, 4-phenyl-1-(beta-piperidinophenethyl)-, ethyl ester, maleate (1:2)?
The molecular weight of Isonipecotic acid, 4-phenyl-1-(beta-piperidinophenethyl)-, ethyl ester, maleate (1:2) is 652.2996 g/mol.
Where can I buy Isonipecotic acid, 4-phenyl-1-(beta-piperidinophenethyl)-, ethyl ester, maleate (1:2)?
You can request a quote for Isonipecotic acid, 4-phenyl-1-(beta-piperidinophenethyl)-, ethyl ester, maleate (1:2) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isonipecotic acid, 4-phenyl-1-(beta-piperidinophenethyl)-, ethyl ester, maleate (1:2)?
Yes, CoreyChem provides custom synthesis services for Isonipecotic acid, 4-phenyl-1-(beta-piperidinophenethyl)-, ethyl ester, maleate (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.