Poldine
TL;DR: Poldine (CAS 596-50-9) is a chemical compound with molecular formula C21H26NO3+ and molecular weight 340.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenylacetate
Also Known As: Poldine, Poldine metilsulfate, Poldine methylsulfate, Poldine methylsulphate, POLDINE [WHO-DD]
| Molecular Formula | C21H26NO3+ |
|---|---|
| Molecular Weight | 340.19 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.19125 |
| Heavy Atoms | 25 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 596-50-9 |
|---|---|
| SMILES | C[N+]1(CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C |
| InChIKey | CQRKVVAGMJJJSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Poldine (CAS 596-50-9), with molecular formula C21H26NO3+ and molecular weight 340.19 g/mol. IUPAC: (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of Poldine
Property Insights of Poldine
The XLogP value of 3.2 indicates that Poldine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Poldine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Poldine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Poldine?
The CAS number of Poldine is 596-50-9.
What is the molecular formula of Poldine?
The molecular formula of Poldine is C21H26NO3+.
What is the molecular weight of Poldine?
The molecular weight of Poldine is 340.19 g/mol.
Where can I buy Poldine?
You can request a quote for Poldine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Poldine?
Yes, KEHONG BIO provides custom synthesis services for Poldine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.