Ethyl 4-(3-((3,4-difluorophenyl)amino)-3-oxopropyl)piperazine-1-carboxylate
TL;DR: Ethyl 4-(3-((3,4-difluorophenyl)amino)-3-oxopropyl)piperazine-1-carboxylate (CAS 428824-35-5) is a chemical compound with molecular formula C16H21F2N3O3 and molecular weight 341.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(3,4-difluoroanilino)-3-oxopropyl]piperazine-1-carboxylate
Also Known As: BAS 03086325, ethyl 4-[3-(3,4-difluoroanilino)-3-oxopropyl]piperazine-1-carboxylate, 4-[2-(3,4-Difluoro-phenylcarbamoyl)-ethyl]-piperazine-1-carboxylic acid ethyl ester, ethyl 4-(3-((3,4-difluorophenyl)amino)-3-oxopropyl)piperazine-1-carboxylate, ETHYL 4-[3-(3,4-DIFLUOROANILINO)-3-OXOPROPYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
| Molecular Formula | C16H21F2N3O3 |
|---|---|
| Molecular Weight | 341.16 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.1551 |
| Heavy Atoms | 24 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 428824-35-5 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CCC(=O)NC2=CC(=C(C=C2)F)F |
| InChIKey | JDGAUQQEDVAFFB-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(3-((3,4-difluorophenyl)amino)-3-oxopropyl)piperazine-1-carboxylate (CAS 428824-35-5), with molecular formula C16H21F2N3O3 and molecular weight 341.16 g/mol. IUPAC: ethyl 4-[3-(3,4-difluoroanilino)-3-oxopropyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-(3-((3,4-difluorophenyl)amino)-3-oxopropyl)piperazine-1-carboxylate
Property Insights of Ethyl 4-(3-((3,4-difluorophenyl)amino)-3-oxopropyl)piperazine-1-carboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(3-((3,4-difluorophenyl)amino)-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-((3,4-difluorophenyl)amino)-3-oxopropyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(3-((3,4-difluorophenyl)amino)-3-oxopropyl)piperazine-1-carboxylate has 1 hydrogen bond donor(s) and 6 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-((3,4-difluorophenyl)amino)-3-oxopropyl)piperazine-1-carboxylate?
The CAS number of Ethyl 4-(3-((3,4-difluorophenyl)amino)-3-oxopropyl)piperazine-1-carboxylate is 428824-35-5.
What is the molecular formula of Ethyl 4-(3-((3,4-difluorophenyl)amino)-3-oxopropyl)piperazine-1-carboxylate?
The molecular formula of Ethyl 4-(3-((3,4-difluorophenyl)amino)-3-oxopropyl)piperazine-1-carboxylate is C16H21F2N3O3.
What is the molecular weight of Ethyl 4-(3-((3,4-difluorophenyl)amino)-3-oxopropyl)piperazine-1-carboxylate?
The molecular weight of Ethyl 4-(3-((3,4-difluorophenyl)amino)-3-oxopropyl)piperazine-1-carboxylate is 341.16 g/mol.
Where can I buy Ethyl 4-(3-((3,4-difluorophenyl)amino)-3-oxopropyl)piperazine-1-carboxylate?
You can request a quote for Ethyl 4-(3-((3,4-difluorophenyl)amino)-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-((3,4-difluorophenyl)amino)-3-oxopropyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3-((3,4-difluorophenyl)amino)-3-oxopropyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.