2,6-Dimethyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)
TL;DR: 2,6-Dimethyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) (CAS 63977-53-7) is a chemical compound with molecular formula C11H18BrNO and molecular weight 259.0572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-hydroxy-2,4-dimethylphenyl)-trimethylazanium bromide
Also Known As: Ro 2-3643, (2,4-Dimethyl-3-hydroxyphenyl)trimethylammonium bromide, (3-hydroxy-2,4-dimethylphenyl)-trimethylazanium bromide, AMMONIUM, (2,4-DIMETHYL-3-HYDROXYPHENYL)TRIMETHYL-, BROMIDE, (3-hydroxy-2,4-dimethylphenyl)-trimethylazanium,bromide
Technical Specifications
| Molecular Formula | C11H18BrNO |
| Molecular Weight | 259.0572 g/mol |
| XLogP | -0.79 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.0572 Da |
| Heavy Atoms | 14 |
| Complexity | 173.0 |
| SMILES | CC1=C(C(=C(C=C1)[N+](C)(C)C)C)O.[Br-] |
| InChIKey | NSAJZVJLTGQRGE-UHFFFAOYSA-N |
Chemical Property Profile of 2,6-Dimethyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)
Property Insights of 2,6-Dimethyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)
The XLogP value of -0.79 indicates that 2,6-Dimethyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.2 Ų, 2,6-Dimethyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) has 1 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 2,6-Dimethyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)?
The CAS number of 2,6-Dimethyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) is 63977-53-7.
What is the molecular formula of 2,6-Dimethyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)?
The molecular formula of 2,6-Dimethyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) is C11H18BrNO.
What is the molecular weight of 2,6-Dimethyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)?
The molecular weight of 2,6-Dimethyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) is 259.0572 g/mol.
Where can I buy 2,6-Dimethyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)?
You can request a quote for 2,6-Dimethyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6-Dimethyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)?
Yes, CoreyChem provides custom synthesis services for 2,6-Dimethyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.