Neostigmine Bromide
TL;DR: Neostigmine Bromide (CAS 114-80-7) is a chemical compound with molecular formula C12H19BrN2O2 and molecular weight 302.063 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium bromide
Also Known As: neostigmine bromide, Vagostigmin, Eustigmin bromide, Neoserine bromide, neo-Proserin
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H19BrN2O2 |
| Molecular Weight | 302.063 g/mol |
| XLogP | -1.05 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.063 Da |
| Heavy Atoms | 17 |
| Complexity | 246.0 |
| Solubility | >45.5 [ug/mL] (The mean of the results at pH 7.4) |
| SMILES | CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C.[Br-] |
| InChIKey | LULNWZDBKTWDGK-UHFFFAOYSA-M |
Chemical Property Profile of Neostigmine Bromide
Property Insights of Neostigmine Bromide
The XLogP value of -1.05 indicates that Neostigmine Bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 29.5 Ų, Neostigmine Bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neostigmine Bromide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Neostigmine Bromide?
The CAS number of Neostigmine Bromide is 114-80-7.
What is the molecular formula of Neostigmine Bromide?
The molecular formula of Neostigmine Bromide is C12H19BrN2O2.
What is the molecular weight of Neostigmine Bromide?
The molecular weight of Neostigmine Bromide is 302.063 g/mol.
Where can I buy Neostigmine Bromide?
You can request a quote for Neostigmine Bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Neostigmine Bromide?
Yes, CoreyChem provides custom synthesis services for Neostigmine Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.