(3-乙酰氧基苯基)二乙基甲基碘化铵
TL;DR: (3-乙酰氧基苯基)二乙基甲基碘化铵 (CAS 17579-39-4) is a chemical compound with molecular formula C13H20INO2 and molecular weight 349.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-乙酰氧基苯基)二乙基甲基碘化铵
(3-acetyloxyphenyl)-diethyl-methylazanium iodide
Also Known As: 3-Acetoxyphenyldiethylmethylammonium iodide, Ro 2-2651, (3-acetyloxyphenyl)-diethyl-methylazanium iodide, AMMONIUM, (3-ACETOXYPHENYL)DIETHYLMETHYL-, IODIDE, (3-acetyloxyphenyl)-diethyl-methylazanium,iodide
| Molecular Formula | C13H20INO2 |
|---|---|
| Molecular Weight | 349.05 g/mol |
| LogP | -0.41 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.0539 |
| Heavy Atoms | 17 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 17579-39-4 |
|---|---|
| SMILES | CC[N+](C)(CC)C1=CC(=CC=C1)OC(=O)C.[I-] |
| InChIKey | CHYYNAHGXXLTHP-UHFFFAOYSA-M |
Product Overview
(3-乙酰氧基苯基)二乙基甲基碘化铵 (CAS 17579-39-4), with molecular formula C13H20INO2 and molecular weight 349.05 g/mol. IUPAC: (3-acetyloxyphenyl)-diethyl-methylazanium iodide.
Chemical Property Profile of (3-乙酰氧基苯基)二乙基甲基碘化铵
Property Insights of (3-乙酰氧基苯基)二乙基甲基碘化铵
The XLogP value of -0.41 indicates that (3-乙酰氧基苯基)二乙基甲基碘化铵 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, (3-乙酰氧基苯基)二乙基甲基碘化铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-乙酰氧基苯基)二乙基甲基碘化铵 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 (3-乙酰氧基苯基)二乙基甲基碘化铵?
The CAS number of (3-乙酰氧基苯基)二乙基甲基碘化铵 is 17579-39-4.
What is the molecular formula of (3-乙酰氧基苯基)二乙基甲基碘化铵?
The molecular formula of (3-乙酰氧基苯基)二乙基甲基碘化铵 is C13H20INO2.
What is the molecular weight of (3-乙酰氧基苯基)二乙基甲基碘化铵?
The molecular weight of (3-乙酰氧基苯基)二乙基甲基碘化铵 is 349.05 g/mol.
Where can I buy (3-乙酰氧基苯基)二乙基甲基碘化铵?
You can request a quote for (3-乙酰氧基苯基)二乙基甲基碘化铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-乙酰氧基苯基)二乙基甲基碘化铵?
Yes, KEHONG BIO provides custom synthesis services for (3-乙酰氧基苯基)二乙基甲基碘化铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.