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Triethyl-[2-[4-(2-phenylethenyl)benzoyl]oxyethyl]azanium iodide
TL;DR: Triethyl-[2-[4-(2-phenylethenyl)benzoyl]oxyethyl]azanium iodide (CAS 101710-52-5) is a chemical compound with molecular formula C23H30INO2 and molecular weight 479.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triethyl-[2-[4-(2-phenylethenyl)benzoyl]oxyethyl]azanium iodide
Also Known As: (2-Hydroxyethyl)triethylammonium iodide 4-stilbenecarboxylate
| Molecular Formula | C23H30INO2 |
|---|---|
| Molecular Weight | 479.13 g/mol |
| LogP | 1.89 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 479.13214 |
| Heavy Atoms | 27 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 101710-52-5 |
|---|---|
| SMILES | CC[N+](CC)(CC)CCOC(=O)C1=CC=C(C=C1)C=CC2=CC=CC=C2.[I-] |
| InChIKey | JRAVKAZUQPXWHT-UHFFFAOYSA-M |
Product Overview
Triethyl-[2-[4-(2-phenylethenyl)benzoyl]oxyethyl]azanium iodide (CAS 101710-52-5), with molecular formula C23H30INO2 and molecular weight 479.13 g/mol. IUPAC: triethyl-[2-[4-(2-phenylethenyl)benzoyl]oxyethyl]azanium iodide.
Chemical Property Profile of Triethyl-[2-[4-(2-phenylethenyl)benzoyl]oxyethyl]azanium iodide
Property Insights of Triethyl-[2-[4-(2-phenylethenyl)benzoyl]oxyethyl]azanium iodide
The XLogP value of 1.89 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triethyl-[2-[4-(2-phenylethenyl)benzoyl]oxyethyl]azanium iodide. With a topological polar surface area (TPSA) of 26.3 Ų, Triethyl-[2-[4-(2-phenylethenyl)benzoyl]oxyethyl]azanium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Triethyl-[2-[4-(2-phenylethenyl)benzoyl]oxyethyl]azanium iodide 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 Triethyl-[2-[4-(2-phenylethenyl)benzoyl]oxyethyl]azanium iodide?
The CAS number of Triethyl-[2-[4-(2-phenylethenyl)benzoyl]oxyethyl]azanium iodide is 101710-52-5.
What is the molecular formula of Triethyl-[2-[4-(2-phenylethenyl)benzoyl]oxyethyl]azanium iodide?
The molecular formula of Triethyl-[2-[4-(2-phenylethenyl)benzoyl]oxyethyl]azanium iodide is C23H30INO2.
What is the molecular weight of Triethyl-[2-[4-(2-phenylethenyl)benzoyl]oxyethyl]azanium iodide?
The molecular weight of Triethyl-[2-[4-(2-phenylethenyl)benzoyl]oxyethyl]azanium iodide is 479.13 g/mol.
Where can I buy Triethyl-[2-[4-(2-phenylethenyl)benzoyl]oxyethyl]azanium iodide?
You can request a quote for Triethyl-[2-[4-(2-phenylethenyl)benzoyl]oxyethyl]azanium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethyl-[2-[4-(2-phenylethenyl)benzoyl]oxyethyl]azanium iodide?
Yes, KEHONG BIO provides custom synthesis services for Triethyl-[2-[4-(2-phenylethenyl)benzoyl]oxyethyl]azanium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.