Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, benzoate (ester)
TL;DR: Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, benzoate (ester) (CAS 66967-90-6) is a chemical compound with molecular formula C16H19BrN2O2 and molecular weight 350.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyloxy-2-pyridinyl)methyl-trimethylazanium bromide
Also Known As: Ro 2-2817, (3-benzoyloxypyridin-2-yl)methyl-trimethylazanium bromide, ((3-Hydroxy-2-pyridyl)methyl)trimethylammonium bromide benzoate (ester), (3-benzoyloxy-[2]pyridylmethyl)-trimethyl-ammonium, bromide, AMMONIUM, ((3-HYDROXY-2-PYRIDYL)METHYL)TRIMETHYL-, BROMIDE, BENZOATE (ester)
| Molecular Formula | C16H19BrN2O2 |
|---|---|
| Molecular Weight | 350.06 g/mol |
| LogP | -0.49 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.063 |
| Heavy Atoms | 21 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 66967-90-6 |
|---|---|
| SMILES | C[N+](C)(C)CC1=C(C=CC=N1)OC(=O)C2=CC=CC=C2.[Br-] |
| InChIKey | PVGLPFPBVIFOSB-UHFFFAOYSA-M |
Product Overview
Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, benzoate (ester) (CAS 66967-90-6), with molecular formula C16H19BrN2O2 and molecular weight 350.06 g/mol. IUPAC: (3-benzoyloxy-2-pyridinyl)methyl-trimethylazanium bromide.
Chemical Property Profile of Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, benzoate (ester)
Property Insights of Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, benzoate (ester)
The XLogP value of -0.49 indicates that Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, benzoate (ester) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 39.2 Ų, Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, benzoate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, benzoate (ester) has 0 hydrogen bond donor(s) and 4 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 Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, benzoate (ester)?
The CAS number of Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, benzoate (ester) is 66967-90-6.
What is the molecular formula of Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, benzoate (ester)?
The molecular formula of Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, benzoate (ester) is C16H19BrN2O2.
What is the molecular weight of Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, benzoate (ester)?
The molecular weight of Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, benzoate (ester) is 350.06 g/mol.
Where can I buy Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, benzoate (ester)?
You can request a quote for Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, benzoate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, benzoate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, ((3-hydroxy-2-pyridyl)methyl)trimethyl-, bromide, benzoate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.