![[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate structure](/static/products/120/1208888-31-6.webp)
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate
TL;DR: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate (CAS 1208888-31-6) is a chemical compound with molecular formula C20H20FN3O5 and molecular weight 401.1387 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate
Also Known As: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate
Technical Specifications
| Molecular Formula | C20H20FN3O5 |
| Molecular Weight | 401.1387 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 401.1387 Da |
| Heavy Atoms | 29 |
| Complexity | 587.0 |
| SMILES | C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)NCCC3=CC=C(C=C3)F)[N+](=O)[O-] |
| InChIKey | WSBDARDKIPUQOP-UHFFFAOYSA-N |
Chemical Property Profile of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate
Property Insights of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate
The XLogP value of 4.1 indicates that [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate. Following Lipinski's Rule of Five, [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate?
The CAS number of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate is 1208888-31-6.
What is the molecular formula of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate?
The molecular formula of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate is C20H20FN3O5.
What is the molecular weight of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate?
The molecular weight of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate is 401.1387 g/mol.
Where can I buy [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate?
You can request a quote for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate?
Yes, CoreyChem provides custom synthesis services for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.