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Ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]-3-piperidinecarboxylate
TL;DR: Ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]-3-piperidinecarboxylate (CAS 428845-59-4) is a chemical compound with molecular formula C17H22F2N2O3 and molecular weight 340.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-3-carboxylate
Also Known As: BAS 03086320, AT-057/43314263, ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]-3-piperidinecarboxylate, ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-3-carboxylate, ethyl 1-{3-[(3,4-difluorophenyl)amino]-3-oxopropyl}piperidine-3-carboxylate
| Molecular Formula | C17H22F2N2O3 |
|---|---|
| Molecular Weight | 340.16 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 340.15985 |
| Heavy Atoms | 24 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 428845-59-4 |
|---|---|
| SMILES | CCOC(=O)C1CCCN(C1)CCC(=O)NC2=CC(=C(C=C2)F)F |
| InChIKey | JALAFJZIDKJNRI-UHFFFAOYSA-N |
Product Overview
Ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]-3-piperidinecarboxylate (CAS 428845-59-4), with molecular formula C17H22F2N2O3 and molecular weight 340.16 g/mol. IUPAC: ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-3-carboxylate.
Chemical Property Profile of Ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]-3-piperidinecarboxylate
Property Insights of Ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]-3-piperidinecarboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]-3-piperidinecarboxylate. With a topological polar surface area (TPSA) of 58.6 Ų, Ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]-3-piperidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]-3-piperidinecarboxylate 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 1-[3-(3,4-difluoroanilino)-3-oxopropyl]-3-piperidinecarboxylate?
The CAS number of Ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]-3-piperidinecarboxylate is 428845-59-4.
What is the molecular formula of Ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]-3-piperidinecarboxylate?
The molecular formula of Ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]-3-piperidinecarboxylate is C17H22F2N2O3.
What is the molecular weight of Ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]-3-piperidinecarboxylate?
The molecular weight of Ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]-3-piperidinecarboxylate is 340.16 g/mol.
Where can I buy Ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]-3-piperidinecarboxylate?
You can request a quote for Ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]-3-piperidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]-3-piperidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]-3-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.