4-Methoxy-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)
TL;DR: 4-Methoxy-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) (CAS 66967-81-5) is a chemical compound with molecular formula C10H16BrNO2 and molecular weight 261.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-hydroxy-2-methoxyphenyl)-trimethylazanium bromide
Also Known As: Ro 2-4206, (5-Hydroxy-2-methoxyphenyl)trimethylammonium bromide, (5-hydroxy-2-methoxyphenyl)-trimethylazanium bromide, (5-hydroxy-2-methoxyphenyl)-trimethylazanium,bromide, AMMONIUM, (5-HYDROXY-2-METHOXYPHENYL)TRIMETHYL-, BROMIDE
| Molecular Formula | C10H16BrNO2 |
|---|---|
| Molecular Weight | 261.04 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.03644 |
| Heavy Atoms | 14 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 66967-81-5 |
|---|---|
| SMILES | C[N+](C)(C)C1=C(C=CC(=C1)O)OC.[Br-] |
| InChIKey | ONIZXHXKWOPLIG-UHFFFAOYSA-N |
Product Overview
4-Methoxy-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) (CAS 66967-81-5), with molecular formula C10H16BrNO2 and molecular weight 261.04 g/mol. IUPAC: (5-hydroxy-2-methoxyphenyl)-trimethylazanium bromide.
Chemical Property Profile of 4-Methoxy-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)
Property Insights of 4-Methoxy-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)
The XLogP value of -1.4 indicates that 4-Methoxy-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 29.5 Ų, 4-Methoxy-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxy-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) has 1 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 4-Methoxy-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)?
The CAS number of 4-Methoxy-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) is 66967-81-5.
What is the molecular formula of 4-Methoxy-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)?
The molecular formula of 4-Methoxy-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) is C10H16BrNO2.
What is the molecular weight of 4-Methoxy-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)?
The molecular weight of 4-Methoxy-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) is 261.04 g/mol.
Where can I buy 4-Methoxy-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)?
You can request a quote for 4-Methoxy-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-Methoxy-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-3-(trimethylazaniumyl)phenolate--hydrogen bromide (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.