3-(Diethyl(methyl)azaniumyl)phenolate--hydrogen bromide (1/1)
TL;DR: 3-(Diethyl(methyl)azaniumyl)phenolate--hydrogen bromide (1/1) (CAS 27068-06-0) is a chemical compound with molecular formula C11H18BrNO and molecular weight 259.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-(3-hydroxyphenyl)-methylazanium bromide
Also Known As: Diethyl(m-hydroxyphenyl)methylammonium bromide, Ro 2-2980, (3-Hydroxyphenyl)diethylmethylammonium bromide, n,n-diethyl-3-hydroxy-n-methylanilinium bromide, Ammonium, diethyl(m-hydroxyphenyl)methyl-, bromide
| Molecular Formula | C11H18BrNO |
|---|---|
| Molecular Weight | 259.06 g/mol |
| LogP | -0.63 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.0572 |
| Heavy Atoms | 14 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 27068-06-0 |
|---|---|
| SMILES | CC[N+](C)(CC)C1=CC(=CC=C1)O.[Br-] |
| InChIKey | FPSGOTBPWRPBCZ-UHFFFAOYSA-N |
Product Overview
3-(Diethyl(methyl)azaniumyl)phenolate--hydrogen bromide (1/1) (CAS 27068-06-0), with molecular formula C11H18BrNO and molecular weight 259.06 g/mol. IUPAC: diethyl-(3-hydroxyphenyl)-methylazanium bromide.
Chemical Property Profile of 3-(Diethyl(methyl)azaniumyl)phenolate--hydrogen bromide (1/1)
Property Insights of 3-(Diethyl(methyl)azaniumyl)phenolate--hydrogen bromide (1/1)
The XLogP value of -0.63 indicates that 3-(Diethyl(methyl)azaniumyl)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, 3-(Diethyl(methyl)azaniumyl)phenolate--hydrogen bromide (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Diethyl(methyl)azaniumyl)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 3-(Diethyl(methyl)azaniumyl)phenolate--hydrogen bromide (1/1)?
The CAS number of 3-(Diethyl(methyl)azaniumyl)phenolate--hydrogen bromide (1/1) is 27068-06-0.
What is the molecular formula of 3-(Diethyl(methyl)azaniumyl)phenolate--hydrogen bromide (1/1)?
The molecular formula of 3-(Diethyl(methyl)azaniumyl)phenolate--hydrogen bromide (1/1) is C11H18BrNO.
What is the molecular weight of 3-(Diethyl(methyl)azaniumyl)phenolate--hydrogen bromide (1/1)?
The molecular weight of 3-(Diethyl(methyl)azaniumyl)phenolate--hydrogen bromide (1/1) is 259.06 g/mol.
Where can I buy 3-(Diethyl(methyl)azaniumyl)phenolate--hydrogen bromide (1/1)?
You can request a quote for 3-(Diethyl(methyl)azaniumyl)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 3-(Diethyl(methyl)azaniumyl)phenolate--hydrogen bromide (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(Diethyl(methyl)azaniumyl)phenolate--hydrogen bromide (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.