溴化新斯的明
TL;DR: 溴化新斯的明 (CAS 114-80-7) is a chemical compound with molecular formula C12H19BrN2O2 and molecular weight 302.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴化新斯的明
[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium bromide
Also Known As: neostigmine bromide, Vagostigmin, Eustigmin bromide, Neoserine bromide, neo-Proserin
| Molecular Formula | C12H19BrN2O2 |
|---|---|
| Molecular Weight | 302.06 g/mol |
| LogP | -1.05 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.063 |
| Heavy Atoms | 17 |
| Complexity | 246.0 |
| Solubility | >45.5 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 114-80-7 |
|---|---|
| SMILES | CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C.[Br-] |
| InChIKey | LULNWZDBKTWDGK-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴化新斯的明 (CAS 114-80-7), with molecular formula C12H19BrN2O2 and molecular weight 302.06 g/mol. IUPAC: [3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium bromide.
Chemical Property Profile of 溴化新斯的明
Property Insights of 溴化新斯的明
The XLogP value of -1.05 indicates that 溴化新斯的明 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, 溴化新斯的明 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 溴化新斯的明 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
Frequently Asked Questions
What is the CAS number of 溴化新斯的明?
The CAS number of 溴化新斯的明 is 114-80-7.
What is the molecular formula of 溴化新斯的明?
The molecular formula of 溴化新斯的明 is C12H19BrN2O2.
What is the molecular weight of 溴化新斯的明?
The molecular weight of 溴化新斯的明 is 302.06 g/mol.
Where can I buy 溴化新斯的明?
You can request a quote for 溴化新斯的明 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴化新斯的明?
Yes, KEHONG BIO provides custom synthesis services for 溴化新斯的明 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.