Isonipecotic acid, 1-(beta-(dimethylamino)phenethyl)-4-phenyl-, ethyl ester, maleate (1:2)
TL;DR: Isonipecotic acid, 1-(beta-(dimethylamino)phenethyl)-4-phenyl-, ethyl ester, maleate (1:2) (CAS 13451-56-4) is a chemical compound with molecular formula C32H40N2O10 and molecular weight 612.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-ethoxycarbonyl-4-phenylpiperidin-1-ium-1-yl)-1-phenylethyl]-dimethylazanium;bis((Z)-4-hydroxy-4-oxobut-2-enoate)
Also Known As: Isonipecotic acid, 1-(beta-(dimethylamino)phenethyl)-4-phenyl-, ethyl ester, maleate (1:2), 1-(2-Phenyl-2-dimethylaminoaethyl)-4-aethoxycarbonyl-4-phenylpiperidin di(hydrogenmaleat), 1-(beta-(Dimethylamino)phenethyl)-4-phenylisonipecotic acid ethyl ester maleate (1:2), [2-(4-ethoxycarbonyl-4-phenylpiperidin-1-ium-1-yl)-1-phenylethyl]-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1087641
| Molecular Formula | C32H40N2O10 |
|---|---|
| Molecular Weight | 612.27 g/mol |
| LogP | -2.1938 |
| Topological Polar Surface Area | 190.04 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 612.2683 |
| Heavy Atoms | 44 |
| Complexity | 1202.454 |
Chemical Identifiers
| CAS Number | 13451-56-4 |
|---|---|
| SMILES | CCOC(=O)C1(CC[NH+](CC1)CC([NH+](C)C)C2=CC=CC=C2)C3=CC=CC=C3.C(=C\C(=O)[O-])\C(=O)O.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
Isonipecotic acid, 1-(beta-(dimethylamino)phenethyl)-4-phenyl-, ethyl ester, maleate (1:2) (CAS 13451-56-4), with molecular formula C32H40N2O10 and molecular weight 612.27 g/mol. IUPAC: [2-(4-ethoxycarbonyl-4-phenylpiperidin-1-ium-1-yl)-1-phenylethyl]-dimethylazanium;bis((Z)-4-hydroxy-4-oxobut-2-enoate).
Chemical Property Profile of Isonipecotic acid, 1-(beta-(dimethylamino)phenethyl)-4-phenyl-, ethyl ester, maleate (1:2)
Property Insights of Isonipecotic acid, 1-(beta-(dimethylamino)phenethyl)-4-phenyl-, ethyl ester, maleate (1:2)
The XLogP value of -2.1938 indicates that Isonipecotic acid, 1-(beta-(dimethylamino)phenethyl)-4-phenyl-, ethyl ester, maleate (1:2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 190.04 Ų indicates high polarity, suggesting Isonipecotic acid, 1-(beta-(dimethylamino)phenethyl)-4-phenyl-, ethyl ester, maleate (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isonipecotic acid, 1-(beta-(dimethylamino)phenethyl)-4-phenyl-, ethyl ester, maleate (1:2) has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isonipecotic acid, 1-(beta-(dimethylamino)phenethyl)-4-phenyl-, ethyl ester, maleate (1:2)?
The CAS number of Isonipecotic acid, 1-(beta-(dimethylamino)phenethyl)-4-phenyl-, ethyl ester, maleate (1:2) is 13451-56-4.
What is the molecular formula of Isonipecotic acid, 1-(beta-(dimethylamino)phenethyl)-4-phenyl-, ethyl ester, maleate (1:2)?
The molecular formula of Isonipecotic acid, 1-(beta-(dimethylamino)phenethyl)-4-phenyl-, ethyl ester, maleate (1:2) is C32H40N2O10.
What is the molecular weight of Isonipecotic acid, 1-(beta-(dimethylamino)phenethyl)-4-phenyl-, ethyl ester, maleate (1:2)?
The molecular weight of Isonipecotic acid, 1-(beta-(dimethylamino)phenethyl)-4-phenyl-, ethyl ester, maleate (1:2) is 612.27 g/mol.
Where can I buy Isonipecotic acid, 1-(beta-(dimethylamino)phenethyl)-4-phenyl-, ethyl ester, maleate (1:2)?
You can request a quote for Isonipecotic acid, 1-(beta-(dimethylamino)phenethyl)-4-phenyl-, ethyl ester, maleate (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isonipecotic acid, 1-(beta-(dimethylamino)phenethyl)-4-phenyl-, ethyl ester, maleate (1:2)?
Yes, KEHONG BIO provides custom synthesis services for Isonipecotic acid, 1-(beta-(dimethylamino)phenethyl)-4-phenyl-, ethyl ester, maleate (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.