![[1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate structure](/static/products/565/5659-02-9.png)
[1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate
TL;DR: [1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate (CAS 5659-02-9) is a chemical compound with molecular formula C22H24FN3O3 and molecular weight 397.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate
Also Known As: [1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate|{1-[2-(Diethylazaniumyl)ethyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}(4-fluorophenyl)methanolate
| Molecular Formula | C22H24FN3O3 |
|---|---|
| Molecular Weight | 397.18 g/mol |
| LogP | 0.3694 |
| Topological Polar Surface Area | 77.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.18018 |
| Heavy Atoms | 29 |
| Complexity | 908.65955 |
Chemical Identifiers
| CAS Number | 5659-02-9 |
|---|---|
| SMILES | CC[NH+](CC)CCN1C(C(=C(C2=CC=C(C=C2)F)[O-])C(=O)C1=O)C3=CN=CC=C3 |
Product Overview
[1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate (CAS 5659-02-9), with molecular formula C22H24FN3O3 and molecular weight 397.18 g/mol. IUPAC: [1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate.
Chemical Property Profile of [1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate
Property Insights of [1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate
The XLogP value of 0.3694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate. The TPSA of 77.77 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate. Following Lipinski's Rule of Five, [1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate 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 [1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate?
The CAS number of [1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate is 5659-02-9.
What is the molecular formula of [1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate?
The molecular formula of [1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate is C22H24FN3O3.
What is the molecular weight of [1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate?
The molecular weight of [1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate is 397.18 g/mol.
Where can I buy [1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate?
You can request a quote for [1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate?
Yes, KEHONG BIO provides custom synthesis services for [1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.