![Ethyl 2-[2-[2-(4-butylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate structure](/static/products/868/868223-92-1.webp)
Ethyl 2-[2-[2-(4-butylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
TL;DR: Ethyl 2-[2-[2-(4-butylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate (CAS 868223-92-1) is a chemical compound with molecular formula C25H28N2O5 and molecular weight 436.19983 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[2-[2-(4-butylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
Also Known As: ethyl 2-[2-[2-(4-butylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate, F1808-0082, ethyl 2-[(2-{[(4-butylphenyl)carbamoyl]methyl}-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]acetate, ethyl 2-((2-(2-((4-butylphenyl)amino)-2-oxoethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy)acetate, Ethyl 2-[2-[(4-butylphenyl)carbamoylmethyl]-1-oxo-isoquinolin-5-yl]oxyacetate
Technical Specifications
| Molecular Formula | C25H28N2O5 |
| Molecular Weight | 436.19983 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 84.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 436.19983 Da |
| Heavy Atoms | 32 |
| Complexity | 671.0 |
| SMILES | CCCCC1=CC=C(C=C1)NC(=O)CN2C=CC3=C(C2=O)C=CC=C3OCC(=O)OCC |
| InChIKey | YCAUSWVAAYTZSR-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-[2-[2-(4-butylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
Property Insights of Ethyl 2-[2-[2-(4-butylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
The XLogP value of 4.6 indicates that Ethyl 2-[2-[2-(4-butylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[2-[2-(4-butylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate. Following Lipinski's Rule of Five, Ethyl 2-[2-[2-(4-butylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 2-[2-[2-(4-butylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate?
The CAS number of Ethyl 2-[2-[2-(4-butylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate is 868223-92-1.
What is the molecular formula of Ethyl 2-[2-[2-(4-butylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate?
The molecular formula of Ethyl 2-[2-[2-(4-butylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate is C25H28N2O5.
What is the molecular weight of Ethyl 2-[2-[2-(4-butylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate?
The molecular weight of Ethyl 2-[2-[2-(4-butylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate is 436.19983 g/mol.
Where can I buy Ethyl 2-[2-[2-(4-butylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate?
You can request a quote for Ethyl 2-[2-[2-(4-butylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-[2-[2-(4-butylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-[2-[2-(4-butylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.