2-Hydroxy-5-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)
TL;DR: 2-Hydroxy-5-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) (CAS 66941-35-3) is a chemical compound with molecular formula C9H14BrNO2 and molecular weight 247.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dihydroxyphenyl)-trimethylazanium bromide
Also Known As: Ro 2-4263, (3,4-Dihydroxyphenyl)trimethylammonium bromide, (3,4-dihydroxyphenyl)-trimethylazanium bromide, (3,4-dihydroxyphenyl)-trimethylazanium,bromide, AMMONIUM, (3,4-DIHYDROXYPHENYL)TRIMETHYL-, BROMIDE
| Molecular Formula | C9H14BrNO2 |
|---|---|
| Molecular Weight | 247.02 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.02078 |
| Heavy Atoms | 13 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 66941-35-3 |
|---|---|
| SMILES | C[N+](C)(C)C1=CC(=C(C=C1)O)O.[Br-] |
| InChIKey | RBWFGZFIVSWEDG-UHFFFAOYSA-N |
Product Overview
2-Hydroxy-5-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) (CAS 66941-35-3), with molecular formula C9H14BrNO2 and molecular weight 247.02 g/mol. IUPAC: (3,4-dihydroxyphenyl)-trimethylazanium bromide.
Chemical Property Profile of 2-Hydroxy-5-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)
Property Insights of 2-Hydroxy-5-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)
The XLogP value of -1.7 indicates that 2-Hydroxy-5-(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 40.5 Ų, 2-Hydroxy-5-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-5-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) has 2 hydrogen bond donor(s) and 3 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 2-Hydroxy-5-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)?
The CAS number of 2-Hydroxy-5-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) is 66941-35-3.
What is the molecular formula of 2-Hydroxy-5-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)?
The molecular formula of 2-Hydroxy-5-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) is C9H14BrNO2.
What is the molecular weight of 2-Hydroxy-5-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)?
The molecular weight of 2-Hydroxy-5-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) is 247.02 g/mol.
Where can I buy 2-Hydroxy-5-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)?
You can request a quote for 2-Hydroxy-5-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-5-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-5-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.