Domiphen Bromide
TL;DR: Domiphen Bromide (CAS 538-71-6) is a chemical compound with molecular formula C22H40BrNO and molecular weight 413.22934 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dodecyl-dimethyl-(2-phenoxyethyl)azanium bromide
Also Known As: domiphen bromide, Oradol, Bradasol, Bradonit, Bradoral
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H40BrNO |
| Molecular Weight | 413.22934 g/mol |
| XLogP | 3.07 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 413.22934 Da |
| Heavy Atoms | 25 |
| Complexity | 271.0 |
| Melting Point | 112-113 °C |
| Vapor Pressure | 3.1X10-11 mm Hg @ 25 °C /Estimated/ |
| 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 |
| SMILES | CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=CC=C1.[Br-] |
| InChIKey | OJIYIVCMRYCWSE-UHFFFAOYSA-M |
Product Description
Applications: Domiphen Bromide is used in pharmaceutical synthesis routes and API production, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Domiphen Bromide is a pharmaceutical intermediate identified by CAS number 538-71-6 and the molecular formula C22H40BrNO and a molecular weight of 413.23 g/mol. Physically, the compound has a 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. Synonyms include domiphen bromide and Oradol.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 413.22934 g/mol.
What are the applications of Domiphen Bromide?
Domiphen Bromide is used in pharmaceutical synthesis routes and API production, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Domiphen Bromide?
You can request a quote for Domiphen Bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Domiphen Bromide?
Yes, CoreyChem provides custom synthesis services for Domiphen Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.