Tropine phenylglyoxylate methiodide
TL;DR: Tropine phenylglyoxylate methiodide (CAS 64790-47-2) is a chemical compound with molecular formula C17H22INO3 and molecular weight 415.06 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) 2-oxo-2-phenylacetate iodide
Also Known As: Tropine phenylglyoxylate methiodide, 1-alpha-H,5-alpha-H-Tropanium, 3-alpha-hydroxy-8-methyl-, iodide, phenylglyoxylate, (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxo-2-phenylacetate iodide, 8,8-Dimethyl-3-{[oxo(phenyl)acetyl]oxy}-8-azabicyclo[3.2.1]octan-8-ium iodide, RefChem:386788
| Molecular Formula | C17H22INO3 |
|---|---|
| Molecular Weight | 415.06 g/mol |
| LogP | -0.8137 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.06445 |
| Heavy Atoms | 22 |
| Complexity | 542.2823 |
Chemical Identifiers
| CAS Number | 64790-47-2 |
|---|---|
| SMILES | C[N+]1(C2CCC1CC(C2)OC(=O)C(=O)C3=CC=CC=C3)C.[I-] |
Product Overview
Tropine phenylglyoxylate methiodide (CAS 64790-47-2), with molecular formula C17H22INO3 and molecular weight 415.06 g/mol. IUPAC: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxo-2-phenylacetate iodide.
Chemical Property Profile of Tropine phenylglyoxylate methiodide
Property Insights of Tropine phenylglyoxylate methiodide
The XLogP value of -0.8137 indicates that Tropine phenylglyoxylate methiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.37 Ų, Tropine phenylglyoxylate methiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tropine phenylglyoxylate methiodide has 0 hydrogen bond donor(s) and 3 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 Tropine phenylglyoxylate methiodide?
The CAS number of Tropine phenylglyoxylate methiodide is 64790-47-2.
What is the molecular formula of Tropine phenylglyoxylate methiodide?
The molecular formula of Tropine phenylglyoxylate methiodide is C17H22INO3.
What is the molecular weight of Tropine phenylglyoxylate methiodide?
The molecular weight of Tropine phenylglyoxylate methiodide is 415.06 g/mol.
Where can I buy Tropine phenylglyoxylate methiodide?
You can request a quote for Tropine phenylglyoxylate methiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tropine phenylglyoxylate methiodide?
Yes, KEHONG BIO provides custom synthesis services for Tropine phenylglyoxylate methiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.