Tropine 4-tolylacetate methiodide
TL;DR: Tropine 4-tolylacetate methiodide (CAS 5135-79-5) is a chemical compound with molecular formula C18H26INO2 and molecular weight 415.10 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) 2-(4-methylphenyl)acetate iodide
Also Known As: Tropine 4-tolylacetate methiodide, Tropine p-tolylacetate methiodide, 8-Methyltropinium iodide, p-tolyl acetate, (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(4-methylphenyl)acetate;iodide, 1-alpha-H,5-alpha-H-Tropanium, 3-alpha-hydroxy-8-methyl, p-tolylacetate (ester), iodide
| Molecular Formula | C18H26INO2 |
|---|---|
| Molecular Weight | 415.10 g/mol |
| LogP | -0.14548 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.10083 |
| Heavy Atoms | 22 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 5135-79-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC(=O)OC2CC3CCC(C2)[N+]3(C)C.[I-] |
| InChIKey | YHIYMHZGIATCDV-UHFFFAOYSA-M |
Product Overview
Tropine 4-tolylacetate methiodide (CAS 5135-79-5), with molecular formula C18H26INO2 and molecular weight 415.10 g/mol. IUPAC: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(4-methylphenyl)acetate iodide.
Chemical Property Profile of Tropine 4-tolylacetate methiodide
Property Insights of Tropine 4-tolylacetate methiodide
The XLogP value of -0.14548 indicates that Tropine 4-tolylacetate methiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.3 Ų, Tropine 4-tolylacetate methiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tropine 4-tolylacetate 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 4-tolylacetate methiodide?
The CAS number of Tropine 4-tolylacetate methiodide is 5135-79-5.
What is the molecular formula of Tropine 4-tolylacetate methiodide?
The molecular formula of Tropine 4-tolylacetate methiodide is C18H26INO2.
What is the molecular weight of Tropine 4-tolylacetate methiodide?
The molecular weight of Tropine 4-tolylacetate methiodide is 415.10 g/mol.
Where can I buy Tropine 4-tolylacetate methiodide?
You can request a quote for Tropine 4-tolylacetate methiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tropine 4-tolylacetate methiodide?
Yes, KEHONG BIO provides custom synthesis services for Tropine 4-tolylacetate methiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.