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Ethyl 4-[3-(3-fluoroanilino)-3-oxopropyl]piperazine-1-carboxylate
TL;DR: Ethyl 4-[3-(3-fluoroanilino)-3-oxopropyl]piperazine-1-carboxylate (CAS 333759-03-8) is a chemical compound with molecular formula C16H22FN3O3 and molecular weight 323.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(3-fluoroanilino)-3-oxopropyl]piperazine-1-carboxylate
Also Known As: BAS 03086971, AT-057/43314958, ethyl 4-[3-(3-fluoroanilino)-3-oxopropyl]piperazine-1-carboxylate, ETHYL 4-{2-[(3-FLUOROPHENYL)CARBAMOYL]ETHYL}PIPERAZINE-1-CARBOXYLATE, 4-[2-(3-Fluoro-phenylcarbamoyl)-ethyl]-piperazine-1-carboxylic acid ethyl ester
| Molecular Formula | C16H22FN3O3 |
|---|---|
| Molecular Weight | 323.16 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.16452 |
| Heavy Atoms | 23 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 333759-03-8 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CCC(=O)NC2=CC(=CC=C2)F |
| InChIKey | FLEJZDGCCLYGRI-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[3-(3-fluoroanilino)-3-oxopropyl]piperazine-1-carboxylate (CAS 333759-03-8), with molecular formula C16H22FN3O3 and molecular weight 323.16 g/mol. IUPAC: ethyl 4-[3-(3-fluoroanilino)-3-oxopropyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-[3-(3-fluoroanilino)-3-oxopropyl]piperazine-1-carboxylate
Property Insights of Ethyl 4-[3-(3-fluoroanilino)-3-oxopropyl]piperazine-1-carboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[3-(3-fluoroanilino)-3-oxopropyl]piperazine-1-carboxylate. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[3-(3-fluoroanilino)-3-oxopropyl]piperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-[3-(3-fluoroanilino)-3-oxopropyl]piperazine-1-carboxylate 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
Frequently Asked Questions
What is the CAS number of Ethyl 4-[3-(3-fluoroanilino)-3-oxopropyl]piperazine-1-carboxylate?
The CAS number of Ethyl 4-[3-(3-fluoroanilino)-3-oxopropyl]piperazine-1-carboxylate is 333759-03-8.
What is the molecular formula of Ethyl 4-[3-(3-fluoroanilino)-3-oxopropyl]piperazine-1-carboxylate?
The molecular formula of Ethyl 4-[3-(3-fluoroanilino)-3-oxopropyl]piperazine-1-carboxylate is C16H22FN3O3.
What is the molecular weight of Ethyl 4-[3-(3-fluoroanilino)-3-oxopropyl]piperazine-1-carboxylate?
The molecular weight of Ethyl 4-[3-(3-fluoroanilino)-3-oxopropyl]piperazine-1-carboxylate is 323.16 g/mol.
Where can I buy Ethyl 4-[3-(3-fluoroanilino)-3-oxopropyl]piperazine-1-carboxylate?
You can request a quote for Ethyl 4-[3-(3-fluoroanilino)-3-oxopropyl]piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[3-(3-fluoroanilino)-3-oxopropyl]piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[3-(3-fluoroanilino)-3-oxopropyl]piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.