D-1-(2-(Diethylamino)ethyl)-2,5-dimethyl-4-piperidinol-3,4,5-trimethoxybenzoate ditartrate
TL;DR: D-1-(2-(Diethylamino)ethyl)-2,5-dimethyl-4-piperidinol-3,4,5-trimethoxybenzoate ditartrate (CAS 51369-07-4) is a chemical compound with molecular formula C31H50N2O17 and molecular weight 722.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[2-(diethylamino)ethyl]-2,5-dimethylpiperidin-4-yl] 3,4,5-trimethoxybenzoate;bis((2R,3R)-2,3-dihydroxybutanedioic acid)
Also Known As: D-1-(2-(Diethylamino)ethyl)-2,5-dimethyl-4-piperidinol-3,4,5-trimethoxybenzoate ditartrate, 4-Piperidinol, 1-(2-(diethylamino)ethyl)-2,5-dimethyl-, 3,4,5-trimethoxybenzoate, ditartrate, (D)-, (2R,3R)-2,3-Dihydroxybutanedioic acid--1-[2-(diethylamino)ethyl]-2,5-dimethylpiperidin-4-yl 3,4,5-trimethoxybenzoate (2/1), [1-(2-diethylaminoethyl)-2,5-dimethylpiperidin-4-yl] 3,4,5-trimethoxybenzoate; (2R,3R)-2,3-dihydroxybutanedioic acid, 2,3-Dihydroxybutanedioic acid--1-[2-(diethylamino)ethyl]-2,5-dimethylpiperidin-4-yl 3,4,5-trimethoxybenzoate (2/1)
| Molecular Formula | C31H50N2O17 |
|---|---|
| Molecular Weight | 722.31 g/mol |
| LogP | -0.9353 |
| Topological Polar Surface Area | 290.59 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 16 |
| Exact Mass | 722.311 |
| Heavy Atoms | 50 |
| Complexity | 1160.5134 |
Chemical Identifiers
| CAS Number | 51369-07-4 |
|---|---|
| SMILES | CCN(CC)CCN1CC(C(CC1C)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
Product Overview
D-1-(2-(Diethylamino)ethyl)-2,5-dimethyl-4-piperidinol-3,4,5-trimethoxybenzoate ditartrate (CAS 51369-07-4), with molecular formula C31H50N2O17 and molecular weight 722.31 g/mol. IUPAC: [1-[2-(diethylamino)ethyl]-2,5-dimethylpiperidin-4-yl] 3,4,5-trimethoxybenzoate;bis((2R,3R)-2,3-dihydroxybutanedioic acid).
Chemical Property Profile of D-1-(2-(Diethylamino)ethyl)-2,5-dimethyl-4-piperidinol-3,4,5-trimethoxybenzoate ditartrate
Property Insights of D-1-(2-(Diethylamino)ethyl)-2,5-dimethyl-4-piperidinol-3,4,5-trimethoxybenzoate ditartrate
The XLogP value of -0.9353 indicates that D-1-(2-(Diethylamino)ethyl)-2,5-dimethyl-4-piperidinol-3,4,5-trimethoxybenzoate ditartrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 290.59 Ų indicates high polarity, suggesting D-1-(2-(Diethylamino)ethyl)-2,5-dimethyl-4-piperidinol-3,4,5-trimethoxybenzoate ditartrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D-1-(2-(Diethylamino)ethyl)-2,5-dimethyl-4-piperidinol-3,4,5-trimethoxybenzoate ditartrate has 8 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of D-1-(2-(Diethylamino)ethyl)-2,5-dimethyl-4-piperidinol-3,4,5-trimethoxybenzoate ditartrate?
The CAS number of D-1-(2-(Diethylamino)ethyl)-2,5-dimethyl-4-piperidinol-3,4,5-trimethoxybenzoate ditartrate is 51369-07-4.
What is the molecular formula of D-1-(2-(Diethylamino)ethyl)-2,5-dimethyl-4-piperidinol-3,4,5-trimethoxybenzoate ditartrate?
The molecular formula of D-1-(2-(Diethylamino)ethyl)-2,5-dimethyl-4-piperidinol-3,4,5-trimethoxybenzoate ditartrate is C31H50N2O17.
What is the molecular weight of D-1-(2-(Diethylamino)ethyl)-2,5-dimethyl-4-piperidinol-3,4,5-trimethoxybenzoate ditartrate?
The molecular weight of D-1-(2-(Diethylamino)ethyl)-2,5-dimethyl-4-piperidinol-3,4,5-trimethoxybenzoate ditartrate is 722.31 g/mol.
Where can I buy D-1-(2-(Diethylamino)ethyl)-2,5-dimethyl-4-piperidinol-3,4,5-trimethoxybenzoate ditartrate?
You can request a quote for D-1-(2-(Diethylamino)ethyl)-2,5-dimethyl-4-piperidinol-3,4,5-trimethoxybenzoate ditartrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-1-(2-(Diethylamino)ethyl)-2,5-dimethyl-4-piperidinol-3,4,5-trimethoxybenzoate ditartrate?
Yes, KEHONG BIO provides custom synthesis services for D-1-(2-(Diethylamino)ethyl)-2,5-dimethyl-4-piperidinol-3,4,5-trimethoxybenzoate ditartrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.