Atropine iodomethylate
TL;DR: Atropine iodomethylate (CAS 17444-28-9) is a chemical compound with molecular formula C18H26INO3 and molecular weight 431.09573 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate iodide
Also Known As: Atropine iodomethylate, (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate iodide, 3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane, 3-[(3-HYDROXY-2-PHENYLPROPANOYL)OXY]-8,8-DIMETHYL-8-AZABICYCLO[3.2.1]OCTAN-8-IUM IODIDE, Opera_ID_1177
Technical Specifications
| Molecular Formula | C18H26INO3 |
| Molecular Weight | 431.09573 g/mol |
| XLogP | -0.92 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.09573 Da |
| Heavy Atoms | 23 |
| Complexity | 387.0 |
| SMILES | C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[I-] |
| InChIKey | CVWRJQHABQDGRP-UHFFFAOYSA-M |
Chemical Property Profile of Atropine iodomethylate
Property Insights of Atropine iodomethylate
The XLogP value of -0.92 indicates that Atropine iodomethylate 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, Atropine iodomethylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Atropine iodomethylate 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
What is the CAS number of Atropine iodomethylate?
The CAS number of Atropine iodomethylate is 17444-28-9.
What is the molecular formula of Atropine iodomethylate?
The molecular formula of Atropine iodomethylate is C18H26INO3.
What is the molecular weight of Atropine iodomethylate?
The molecular weight of Atropine iodomethylate is 431.09573 g/mol.
Where can I buy Atropine iodomethylate?
You can request a quote for Atropine iodomethylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Atropine iodomethylate?
Yes, CoreyChem provides custom synthesis services for Atropine iodomethylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.