新斯的明甲基硫酸盐
TL;DR: 新斯的明甲基硫酸盐 (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.
新斯的明甲基硫酸盐
[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
新斯的明甲基硫酸盐 (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 新斯的明甲基硫酸盐
Property Insights of 新斯的明甲基硫酸盐
The XLogP value of 1.04 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 新斯的明甲基硫酸盐. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 新斯的明甲基硫酸盐. Following Lipinski's Rule of Five, 新斯的明甲基硫酸盐 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 新斯的明甲基硫酸盐?
The CAS number of 新斯的明甲基硫酸盐 is 51-60-5.
What is the molecular formula of 新斯的明甲基硫酸盐?
The molecular formula of 新斯的明甲基硫酸盐 is C13H22N2O6S.
What is the molecular weight of 新斯的明甲基硫酸盐?
The molecular weight of 新斯的明甲基硫酸盐 is 334.12 g/mol.
Where can I buy 新斯的明甲基硫酸盐?
You can request a quote for 新斯的明甲基硫酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 新斯的明甲基硫酸盐?
Yes, KEHONG BIO provides custom synthesis services for 新斯的明甲基硫酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.