Oxyphenonium Bromide
TL;DR: Oxyphenonium Bromide (CAS 50-10-2) is a chemical compound with molecular formula C21H34BrNO3 and molecular weight 427.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxyethyl-diethyl-methylazanium bromide
Also Known As: OXYPHENONIUM BROMIDE, Spasmophen, Oxyphenon, Oxifenon, Oxyfenon
| Molecular Formula | C21H34BrNO3 |
|---|---|
| Molecular Weight | 427.17 g/mol |
| LogP | 0.49 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 427.1722 |
| Heavy Atoms | 26 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 50-10-2 |
|---|---|
| SMILES | CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.[Br-] |
| InChIKey | UKLQXHUGTKWPSR-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxyphenonium Bromide (CAS 50-10-2), with molecular formula C21H34BrNO3 and molecular weight 427.17 g/mol. IUPAC: 2-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxyethyl-diethyl-methylazanium bromide.
Chemical Property Profile of Oxyphenonium Bromide
Property Insights of Oxyphenonium Bromide
The XLogP value of 0.49 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxyphenonium Bromide. With a topological polar surface area (TPSA) of 46.5 Ų, Oxyphenonium Bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxyphenonium Bromide has 1 hydrogen bond donor(s) and 4 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 Oxyphenonium Bromide?
The CAS number of Oxyphenonium Bromide is 50-10-2.
What is the molecular formula of Oxyphenonium Bromide?
The molecular formula of Oxyphenonium Bromide is C21H34BrNO3.
What is the molecular weight of Oxyphenonium Bromide?
The molecular weight of Oxyphenonium Bromide is 427.17 g/mol.
Where can I buy Oxyphenonium Bromide?
You can request a quote for Oxyphenonium Bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxyphenonium Bromide?
Yes, KEHONG BIO provides custom synthesis services for Oxyphenonium Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.