新斯的明
TL;DR: 新斯的明 (CAS 59-99-4) is a chemical compound with molecular formula C12H19N2O2+ and molecular weight 223.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
新斯的明
[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium
Also Known As: NEOSTIGMINE, Eustigmine, Eustigmin, Vagostigmine, Prostigmine
| Molecular Formula | C12H19N2O2+ |
|---|---|
| Molecular Weight | 223.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.14465 |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
| Solubility | 6.77e-02 g/L |
Chemical Identifiers
| CAS Number | 59-99-4 |
|---|---|
| SMILES | CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C |
| InChIKey | ALWKGYPQUAPLQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
新斯的明 (CAS 59-99-4), with molecular formula C12H19N2O2+ and molecular weight 223.14 g/mol. IUPAC: [3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium.
Chemical Property Profile of 新斯的明
Property Insights of 新斯的明
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 新斯的明. With a topological polar surface area (TPSA) of 29.5 Ų, 新斯的明 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 新斯的明 has 0 hydrogen bond donor(s) and 2 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?
The CAS number of 新斯的明 is 59-99-4.
What is the molecular formula of 新斯的明?
The molecular formula of 新斯的明 is C12H19N2O2+.
What is the molecular weight of 新斯的明?
The molecular weight of 新斯的明 is 223.14 g/mol.
Where can I buy 新斯的明?
You can request a quote for 新斯的明 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?
Yes, KEHONG BIO provides custom synthesis services for 新斯的明 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.