Domiphen Bromide
TL;DR: Domiphen Bromide (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.
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
Domiphen Bromide (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 Domiphen Bromide
Property Insights of Domiphen Bromide
The XLogP value of 3.07 indicates that Domiphen Bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Domiphen Bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Domiphen Bromide 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 Domiphen Bromide?
The CAS number of Domiphen Bromide is 538-71-6.
What is the molecular formula of Domiphen Bromide?
The molecular formula of Domiphen Bromide is C22H40BrNO.
What is the molecular weight of Domiphen Bromide?
The molecular weight of Domiphen Bromide is 413.23 g/mol.
Where can I buy Domiphen Bromide?
You can request a quote for Domiphen Bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Domiphen Bromide?
Yes, KEHONG BIO provides custom synthesis services for Domiphen Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.