Aminostigmine dihydrochloride
TL;DR: Aminostigmine dihydrochloride (CAS 51581-37-4) is a chemical compound with molecular formula C11H19Cl2N3O2 and molecular weight 295.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(dimethylcarbamoyloxy)pyridin-1-ium-2-yl]methyl-dimethylazanium dichloride
Also Known As: Aminostigmin, Aminostigmine, aminostigmine dihydrochloride, Ro 2-2126, 2-[(dimethylamino)methyl]pyridin-3-yl dimethylcarbamate
| Molecular Formula | C11H19Cl2N3O2 |
|---|---|
| Molecular Weight | 295.09 g/mol |
| LogP | -6.79 |
| Topological Polar Surface Area | 48.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.08542 |
| Heavy Atoms | 18 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 51581-37-4 |
|---|---|
| SMILES | C[NH+](C)CC1=C(C=CC=[NH+]1)OC(=O)N(C)C.[Cl-].[Cl-] |
| InChIKey | KSQRUYRITNDIRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aminostigmine dihydrochloride (CAS 51581-37-4), with molecular formula C11H19Cl2N3O2 and molecular weight 295.09 g/mol. IUPAC: [3-(dimethylcarbamoyloxy)pyridin-1-ium-2-yl]methyl-dimethylazanium dichloride.
Chemical Property Profile of Aminostigmine dihydrochloride
Property Insights of Aminostigmine dihydrochloride
The XLogP value of -6.79 indicates that Aminostigmine dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 48.1 Ų, Aminostigmine dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aminostigmine dihydrochloride has 2 hydrogen bond donor(s) and 4 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 Aminostigmine dihydrochloride?
The CAS number of Aminostigmine dihydrochloride is 51581-37-4.
What is the molecular formula of Aminostigmine dihydrochloride?
The molecular formula of Aminostigmine dihydrochloride is C11H19Cl2N3O2.
What is the molecular weight of Aminostigmine dihydrochloride?
The molecular weight of Aminostigmine dihydrochloride is 295.09 g/mol.
Where can I buy Aminostigmine dihydrochloride?
You can request a quote for Aminostigmine dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aminostigmine dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Aminostigmine dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.