Atropine iodomethylate
TL;DR: Atropine iodomethylate (CAS 17444-28-9) is a chemical compound with molecular formula C18H26INO3 and molecular weight 431.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C18H26INO3 |
|---|---|
| Molecular Weight | 431.10 g/mol |
| LogP | -0.92 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.09573 |
| Heavy Atoms | 23 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 17444-28-9 |
|---|---|
| SMILES | C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[I-] |
| InChIKey | CVWRJQHABQDGRP-UHFFFAOYSA-M |
Product Overview
Atropine iodomethylate (CAS 17444-28-9), with molecular formula C18H26INO3 and molecular weight 431.10 g/mol. IUPAC: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate iodide.
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
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 431.10 g/mol.
Where can I buy Atropine iodomethylate?
You can request a quote for Atropine iodomethylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atropine iodomethylate?
Yes, KEHONG BIO provides custom synthesis services for Atropine iodomethylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.