4-Piperidinol, 2,5-dimethyl-4-phenyl-1-(3-(1-pyrrolidinyl)propyl)-, propionate (ester), ditartrate, dihydrate
TL;DR: 4-Piperidinol, 2,5-dimethyl-4-phenyl-1-(3-(1-pyrrolidinyl)propyl)-, propionate (ester), ditartrate, dihydrate (CAS 54521-99-2) is a chemical compound with molecular formula C31H48N2O14 and molecular weight 672.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((2S,3S)-2,3-dihydroxybutanedioic acid);[2,5-dimethyl-4-phenyl-1-(3-pyrrolidin-1-ylpropyl)piperidin-4-yl] propanoate
Also Known As: 4-Piperidinol, 2,5-dimethyl-4-phenyl-1-(3-(1-pyrrolidinyl)propyl)-, propionate (ester), ditartrate, dihydrate, (2S,3S)-2,3-Dihydroxybutanedioic acid--2,5-dimethyl-4-phenyl-1-[3-(pyrrolidin-1-yl)propyl]piperidin-4-yl propanoate (2/1), (2S,3S)-2,3-dihydroxybutanedioic acid; [2,5-dimethyl-4-phenyl-1-(3-pyrrolidin-1-ylpropyl)piperidin-4-yl] propanoate, 2,3-Dihydroxybutanedioic acid--2,5-dimethyl-4-phenyl-1-[3-(pyrrolidin-1-yl)propyl]piperidin-4-yl propanoate (2/1), RefChem:295816
| Molecular Formula | C31H48N2O14 |
|---|---|
| Molecular Weight | 672.31 g/mol |
| LogP | -0.1939 |
| Topological Polar Surface Area | 262.9 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 672.31055 |
| Heavy Atoms | 47 |
| Complexity | 1090.1349 |
Chemical Identifiers
| CAS Number | 54521-99-2 |
|---|---|
| SMILES | CCC(=O)OC1(CC(N(CC1C)CCCN2CCCC2)C)C3=CC=CC=C3.[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
4-Piperidinol, 2,5-dimethyl-4-phenyl-1-(3-(1-pyrrolidinyl)propyl)-, propionate (ester), ditartrate, dihydrate (CAS 54521-99-2), with molecular formula C31H48N2O14 and molecular weight 672.31 g/mol. IUPAC: bis((2S,3S)-2,3-dihydroxybutanedioic acid);[2,5-dimethyl-4-phenyl-1-(3-pyrrolidin-1-ylpropyl)piperidin-4-yl] propanoate.
Chemical Property Profile of 4-Piperidinol, 2,5-dimethyl-4-phenyl-1-(3-(1-pyrrolidinyl)propyl)-, propionate (ester), ditartrate, dihydrate
Property Insights of 4-Piperidinol, 2,5-dimethyl-4-phenyl-1-(3-(1-pyrrolidinyl)propyl)-, propionate (ester), ditartrate, dihydrate
The XLogP value of -0.1939 indicates that 4-Piperidinol, 2,5-dimethyl-4-phenyl-1-(3-(1-pyrrolidinyl)propyl)-, propionate (ester), ditartrate, dihydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 262.9 Ų indicates high polarity, suggesting 4-Piperidinol, 2,5-dimethyl-4-phenyl-1-(3-(1-pyrrolidinyl)propyl)-, propionate (ester), ditartrate, dihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Piperidinol, 2,5-dimethyl-4-phenyl-1-(3-(1-pyrrolidinyl)propyl)-, propionate (ester), ditartrate, dihydrate 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 4-Piperidinol, 2,5-dimethyl-4-phenyl-1-(3-(1-pyrrolidinyl)propyl)-, propionate (ester), ditartrate, dihydrate?
The CAS number of 4-Piperidinol, 2,5-dimethyl-4-phenyl-1-(3-(1-pyrrolidinyl)propyl)-, propionate (ester), ditartrate, dihydrate is 54521-99-2.
What is the molecular formula of 4-Piperidinol, 2,5-dimethyl-4-phenyl-1-(3-(1-pyrrolidinyl)propyl)-, propionate (ester), ditartrate, dihydrate?
The molecular formula of 4-Piperidinol, 2,5-dimethyl-4-phenyl-1-(3-(1-pyrrolidinyl)propyl)-, propionate (ester), ditartrate, dihydrate is C31H48N2O14.
What is the molecular weight of 4-Piperidinol, 2,5-dimethyl-4-phenyl-1-(3-(1-pyrrolidinyl)propyl)-, propionate (ester), ditartrate, dihydrate?
The molecular weight of 4-Piperidinol, 2,5-dimethyl-4-phenyl-1-(3-(1-pyrrolidinyl)propyl)-, propionate (ester), ditartrate, dihydrate is 672.31 g/mol.
Where can I buy 4-Piperidinol, 2,5-dimethyl-4-phenyl-1-(3-(1-pyrrolidinyl)propyl)-, propionate (ester), ditartrate, dihydrate?
You can request a quote for 4-Piperidinol, 2,5-dimethyl-4-phenyl-1-(3-(1-pyrrolidinyl)propyl)-, propionate (ester), ditartrate, dihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Piperidinol, 2,5-dimethyl-4-phenyl-1-(3-(1-pyrrolidinyl)propyl)-, propionate (ester), ditartrate, dihydrate?
Yes, KEHONG BIO provides custom synthesis services for 4-Piperidinol, 2,5-dimethyl-4-phenyl-1-(3-(1-pyrrolidinyl)propyl)-, propionate (ester), ditartrate, dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.