4-Methyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)
TL;DR: 4-Methyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) (CAS 66968-00-1) is a chemical compound with molecular formula C10H16BrNO and molecular weight 245.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-hydroxy-2-methylphenyl)-trimethylazanium bromide
Also Known As: (5-Hydroxy-o-tolyl)trimethylammonium bromide, Ro 2-3396, (5-hydroxy-2-methylphenyl)-trimethylazanium bromide, AMMONIUM, (5-HYDROXY-o-TOLYL)TRIMETHYL-, BROMIDE, 4-Methyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)
| Molecular Formula | C10H16BrNO |
|---|---|
| Molecular Weight | 245.04 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.04153 |
| Heavy Atoms | 13 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 66968-00-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)O)[N+](C)(C)C.[Br-] |
| InChIKey | ODGRUPFXNQFJBR-UHFFFAOYSA-N |
Product Overview
4-Methyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) (CAS 66968-00-1), with molecular formula C10H16BrNO and molecular weight 245.04 g/mol. IUPAC: (5-hydroxy-2-methylphenyl)-trimethylazanium bromide.
Chemical Property Profile of 4-Methyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)
Property Insights of 4-Methyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)
The XLogP value of -1.1 indicates that 4-Methyl-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, 4-Methyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-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
Frequently Asked Questions
What is the CAS number of 4-Methyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)?
The CAS number of 4-Methyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) is 66968-00-1.
What is the molecular formula of 4-Methyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)?
The molecular formula of 4-Methyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) is C10H16BrNO.
What is the molecular weight of 4-Methyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)?
The molecular weight of 4-Methyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) is 245.04 g/mol.
Where can I buy 4-Methyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)?
You can request a quote for 4-Methyl-3-(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 4-Methyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.