依替碘铵
TL;DR: 依替碘铵 (CAS 3478-15-7) is a chemical compound with molecular formula C21H26INO3 and molecular weight 467.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
依替碘铵
2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenylacetate iodide
Also Known As: Etipirium iodide, Etipirii iodidum, Iodure d'etipirium, Ioduro de etipirio, IMPE
| Molecular Formula | C21H26INO3 |
|---|---|
| Molecular Weight | 467.10 g/mol |
| LogP | -0.29 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 467.09573 |
| Heavy Atoms | 26 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 3478-15-7 |
|---|---|
| SMILES | C[N+]1(CCCC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.[I-] |
| InChIKey | PCLIRWBVOVZTOK-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
依替碘铵 (CAS 3478-15-7), with molecular formula C21H26INO3 and molecular weight 467.10 g/mol. IUPAC: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenylacetate iodide.
Chemical Property Profile of 依替碘铵
Property Insights of 依替碘铵
The XLogP value of -0.29 indicates that 依替碘铵 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, 依替碘铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 依替碘铵 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 依替碘铵?
The CAS number of 依替碘铵 is 3478-15-7.
What is the molecular formula of 依替碘铵?
The molecular formula of 依替碘铵 is C21H26INO3.
What is the molecular weight of 依替碘铵?
The molecular weight of 依替碘铵 is 467.10 g/mol.
Where can I buy 依替碘铵?
You can request a quote for 依替碘铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 依替碘铵?
Yes, KEHONG BIO provides custom synthesis services for 依替碘铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.