Pyrrolidinium, 1-ethyl-3-hydroxy-1-methyl-, bromide, benzilate
TL;DR: Pyrrolidinium, 1-ethyl-3-hydroxy-1-methyl-, bromide, benzilate (CAS 13696-05-4) is a chemical compound with molecular formula C21H26BrNO3 and molecular weight 419.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-ethyl-1-methylpyrrolidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate bromide
Also Known As: AHR 329, 1-Ethyl-3-hydroxy-1-methylpyrrolidinium bromide benzilate, Pyrrolidinium, 1-ethyl-3-hydroxy-1-methyl-, bromide, benzilate, 1-Ethyl-3-{[hydroxy(diphenyl)acetyl]oxy}-1-methylpyrrolidin-1-ium bromide, 1-Ethyl-3-{[hydroxydi(phenyl)acetyl]oxy}-1-methylpyrrolidin-1-ium bromide
| Molecular Formula | C21H26BrNO3 |
|---|---|
| Molecular Weight | 419.11 g/mol |
| LogP | -0.2915 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.10962 |
| Heavy Atoms | 26 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 13696-05-4 |
|---|---|
| SMILES | CC[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[Br-] |
| InChIKey | HTAKHIBNCLFNIX-UHFFFAOYSA-M |
Product Overview
Pyrrolidinium, 1-ethyl-3-hydroxy-1-methyl-, bromide, benzilate (CAS 13696-05-4), with molecular formula C21H26BrNO3 and molecular weight 419.11 g/mol. IUPAC: (1-ethyl-1-methylpyrrolidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate bromide.
Chemical Property Profile of Pyrrolidinium, 1-ethyl-3-hydroxy-1-methyl-, bromide, benzilate
Property Insights of Pyrrolidinium, 1-ethyl-3-hydroxy-1-methyl-, bromide, benzilate
The XLogP value of -0.2915 indicates that Pyrrolidinium, 1-ethyl-3-hydroxy-1-methyl-, bromide, benzilate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, Pyrrolidinium, 1-ethyl-3-hydroxy-1-methyl-, bromide, benzilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidinium, 1-ethyl-3-hydroxy-1-methyl-, bromide, benzilate has 1 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 Pyrrolidinium, 1-ethyl-3-hydroxy-1-methyl-, bromide, benzilate?
The CAS number of Pyrrolidinium, 1-ethyl-3-hydroxy-1-methyl-, bromide, benzilate is 13696-05-4.
What is the molecular formula of Pyrrolidinium, 1-ethyl-3-hydroxy-1-methyl-, bromide, benzilate?
The molecular formula of Pyrrolidinium, 1-ethyl-3-hydroxy-1-methyl-, bromide, benzilate is C21H26BrNO3.
What is the molecular weight of Pyrrolidinium, 1-ethyl-3-hydroxy-1-methyl-, bromide, benzilate?
The molecular weight of Pyrrolidinium, 1-ethyl-3-hydroxy-1-methyl-, bromide, benzilate is 419.11 g/mol.
Where can I buy Pyrrolidinium, 1-ethyl-3-hydroxy-1-methyl-, bromide, benzilate?
You can request a quote for Pyrrolidinium, 1-ethyl-3-hydroxy-1-methyl-, bromide, benzilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidinium, 1-ethyl-3-hydroxy-1-methyl-, bromide, benzilate?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidinium, 1-ethyl-3-hydroxy-1-methyl-, bromide, benzilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.