Propionic acid, 1-(diethylaminopropyl)-2,5-dimethyl-4-phenyl-4-piperidinyl ester
TL;DR: Propionic acid, 1-(diethylaminopropyl)-2,5-dimethyl-4-phenyl-4-piperidinyl ester (CAS 54521-97-0) is a chemical compound with molecular formula C31H50N2O14 and molecular weight 674.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[3-(diethylamino)propyl]-2,5-dimethyl-4-phenylpiperidin-4-yl] propanoate;bis((2S,3S)-2,3-dihydroxybutanedioic acid)
Also Known As: Propionic acid, 1-(diethylaminopropyl)-2,5-dimethyl-4-phenyl-4-piperidinyl ester, 4-Piperidinol, 1-(3-(diethylamino)propyl)-2,5-dimethyl-4-phenyl-, propionate (ester), ditartrate, dihydrate, (2S,3S)-2,3-Dihydroxybutanedioic acid--1-[3-(diethylamino)propyl]-2,5-dimethyl-4-phenylpiperidin-4-yl propanoate (2/1), [1-[3-(diethylamino)propyl]-2,5-dimethyl-4-phenylpiperidin-4-yl] propanoate; (2S,3S)-2,3-dihydroxybutanedioic acid, 2,3-Dihydroxybutanedioic acid--1-[3-(diethylamino)propyl]-2,5-dimethyl-4-phenylpiperidin-4-yl propanoate (2/1)
| Molecular Formula | C31H50N2O14 |
|---|---|
| Molecular Weight | 674.33 g/mol |
| LogP | 0.0521 |
| Topological Polar Surface Area | 262.9 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 674.32623 |
| Heavy Atoms | 47 |
| Complexity | 1060.4775 |
Chemical Identifiers
| CAS Number | 54521-97-0 |
|---|---|
| SMILES | CCC(=O)OC1(CC(N(CC1C)CCCN(CC)CC)C)C2=CC=CC=C2.[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
Propionic acid, 1-(diethylaminopropyl)-2,5-dimethyl-4-phenyl-4-piperidinyl ester (CAS 54521-97-0), with molecular formula C31H50N2O14 and molecular weight 674.33 g/mol. IUPAC: [1-[3-(diethylamino)propyl]-2,5-dimethyl-4-phenylpiperidin-4-yl] propanoate;bis((2S,3S)-2,3-dihydroxybutanedioic acid).
Chemical Property Profile of Propionic acid, 1-(diethylaminopropyl)-2,5-dimethyl-4-phenyl-4-piperidinyl ester
Property Insights of Propionic acid, 1-(diethylaminopropyl)-2,5-dimethyl-4-phenyl-4-piperidinyl ester
The XLogP value of 0.0521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propionic acid, 1-(diethylaminopropyl)-2,5-dimethyl-4-phenyl-4-piperidinyl ester. The TPSA of 262.9 Ų indicates high polarity, suggesting Propionic acid, 1-(diethylaminopropyl)-2,5-dimethyl-4-phenyl-4-piperidinyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Propionic acid, 1-(diethylaminopropyl)-2,5-dimethyl-4-phenyl-4-piperidinyl ester has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propionic acid, 1-(diethylaminopropyl)-2,5-dimethyl-4-phenyl-4-piperidinyl ester?
The CAS number of Propionic acid, 1-(diethylaminopropyl)-2,5-dimethyl-4-phenyl-4-piperidinyl ester is 54521-97-0.
What is the molecular formula of Propionic acid, 1-(diethylaminopropyl)-2,5-dimethyl-4-phenyl-4-piperidinyl ester?
The molecular formula of Propionic acid, 1-(diethylaminopropyl)-2,5-dimethyl-4-phenyl-4-piperidinyl ester is C31H50N2O14.
What is the molecular weight of Propionic acid, 1-(diethylaminopropyl)-2,5-dimethyl-4-phenyl-4-piperidinyl ester?
The molecular weight of Propionic acid, 1-(diethylaminopropyl)-2,5-dimethyl-4-phenyl-4-piperidinyl ester is 674.33 g/mol.
Where can I buy Propionic acid, 1-(diethylaminopropyl)-2,5-dimethyl-4-phenyl-4-piperidinyl ester?
You can request a quote for Propionic acid, 1-(diethylaminopropyl)-2,5-dimethyl-4-phenyl-4-piperidinyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propionic acid, 1-(diethylaminopropyl)-2,5-dimethyl-4-phenyl-4-piperidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propionic acid, 1-(diethylaminopropyl)-2,5-dimethyl-4-phenyl-4-piperidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.