度米芬
TL;DR: 度米芬 (CAS 538-71-6) is a chemical compound with molecular formula C22H40BrNO and molecular weight 413.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
度米芬
dodecyl-dimethyl-(2-phenoxyethyl)azanium bromide
Also Known As: domiphen bromide, Oradol, Bradasol, Bradonit, Bradoral
| Molecular Formula | C22H40BrNO |
|---|---|
| Molecular Weight | 413.23 g/mol |
| LogP | 3.07 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 413.22934 |
| Heavy Atoms | 25 |
| Complexity | 271.0 |
| Melting Point | 112-113 °C |
| Solubility | Freely soluble in water (100 g/100 mL), much less sol at low temps. Soluble in ethanol, acetone, ethyl acetate, chloroform; very slightly soluble in benzene |
| Vapor Pressure | 3.1X10-11 mm Hg @ 25 °C /Estimated/ |
Chemical Identifiers
| CAS Number | 538-71-6 |
|---|---|
| SMILES | CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=CC=C1.[Br-] |
| InChIKey | OJIYIVCMRYCWSE-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
度米芬 (CAS 538-71-6), with molecular formula C22H40BrNO and molecular weight 413.23 g/mol. IUPAC: dodecyl-dimethyl-(2-phenoxyethyl)azanium bromide.
Chemical Property Profile of 度米芬
Property Insights of 度米芬
The XLogP value of 3.07 indicates that 度米芬 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 度米芬 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 度米芬 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 度米芬?
The CAS number of 度米芬 is 538-71-6.
What is the molecular formula of 度米芬?
The molecular formula of 度米芬 is C22H40BrNO.
What is the molecular weight of 度米芬?
The molecular weight of 度米芬 is 413.23 g/mol.
Where can I buy 度米芬?
You can request a quote for 度米芬 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 度米芬?
Yes, KEHONG BIO provides custom synthesis services for 度米芬 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.