Neostigmine Methylsulfate
TL;DR: Neostigmine Methylsulfate (CAS 51-60-5) is a chemical compound with molecular formula C13H22N2O6S and molecular weight 334.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium;methyl sulfate
Also Known As: Neostigmine methyl sulfate, Syntostigmin, NEOSTIGMINE METHYLSULFATE, Hodostin, Neostigmine metilsulfate
| Molecular Formula | C13H22N2O6S |
|---|---|
| Molecular Weight | 334.12 g/mol |
| LogP | 1.04 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.11984 |
| Heavy Atoms | 22 |
| Complexity | 337.0 |
| Solubility | >50.2 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 51-60-5 |
|---|---|
| SMILES | CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C.COS(=O)(=O)[O-] |
| InChIKey | OSZNNLWOYWAHSS-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neostigmine Methylsulfate (CAS 51-60-5), with molecular formula C13H22N2O6S and molecular weight 334.12 g/mol. IUPAC: [3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium;methyl sulfate.
Chemical Property Profile of Neostigmine Methylsulfate
Property Insights of Neostigmine Methylsulfate
The XLogP value of 1.04 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neostigmine Methylsulfate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Neostigmine Methylsulfate. Following Lipinski's Rule of Five, Neostigmine Methylsulfate has 0 hydrogen bond donor(s) and 6 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 Neostigmine Methylsulfate?
The CAS number of Neostigmine Methylsulfate is 51-60-5.
What is the molecular formula of Neostigmine Methylsulfate?
The molecular formula of Neostigmine Methylsulfate is C13H22N2O6S.
What is the molecular weight of Neostigmine Methylsulfate?
The molecular weight of Neostigmine Methylsulfate is 334.12 g/mol.
Where can I buy Neostigmine Methylsulfate?
You can request a quote for Neostigmine Methylsulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neostigmine Methylsulfate?
Yes, KEHONG BIO provides custom synthesis services for Neostigmine Methylsulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.