Poldine methylsulfate
TL;DR: Poldine methylsulfate (CAS 545-80-2) is a chemical compound with molecular formula C22H29NO7S and molecular weight 451.17 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;methyl sulfate
Also Known As: Poldine methylsulfate, Poldine metilsulfate, Nacton, Alfaland, Nactate
| Molecular Formula | C22H29NO7S |
|---|---|
| Molecular Weight | 451.17 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.16647 |
| Heavy Atoms | 31 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 545-80-2 |
|---|---|
| SMILES | C[N+]1(CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.COS(=O)(=O)[O-] |
| InChIKey | DQHAZEKGLAMVFA-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Poldine methylsulfate (CAS 545-80-2), with molecular formula C22H29NO7S and molecular weight 451.17 g/mol. IUPAC: (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenylacetate;methyl sulfate.
Chemical Property Profile of Poldine methylsulfate
Property Insights of Poldine methylsulfate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Poldine methylsulfate. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Poldine methylsulfate. Following Lipinski's Rule of Five, Poldine methylsulfate has 1 hydrogen bond donor(s) and 7 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 methylsulfate?
The CAS number of Poldine methylsulfate is 545-80-2.
What is the molecular formula of Poldine methylsulfate?
The molecular formula of Poldine methylsulfate is C22H29NO7S.
What is the molecular weight of Poldine methylsulfate?
The molecular weight of Poldine methylsulfate is 451.17 g/mol.
Where can I buy Poldine methylsulfate?
You can request a quote for Poldine methylsulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Poldine methylsulfate?
Yes, KEHONG BIO provides custom synthesis services for Poldine methylsulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.