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Ethyl 1-[3-oxo-3-(2-toluidino)propyl]-4-piperidinecarboxylate
TL;DR: Ethyl 1-[3-oxo-3-(2-toluidino)propyl]-4-piperidinecarboxylate (CAS 428846-29-1) is a chemical compound with molecular formula C18H26N2O3 and molecular weight 318.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidine-4-carboxylate
Also Known As: BAS 03086599, AB00109977-01, AT-057/43314105, ethyl 1-[3-oxo-3-(2-toluidino)propyl]-4-piperidinecarboxylate, ethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidine-4-carboxylate
| Molecular Formula | C18H26N2O3 |
|---|---|
| Molecular Weight | 318.19 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 318.19434 |
| Heavy Atoms | 23 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 428846-29-1 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)CCC(=O)NC2=CC=CC=C2C |
| InChIKey | BVMDKTPCTOIJEH-UHFFFAOYSA-N |
Product Overview
Ethyl 1-[3-oxo-3-(2-toluidino)propyl]-4-piperidinecarboxylate (CAS 428846-29-1), with molecular formula C18H26N2O3 and molecular weight 318.19 g/mol. IUPAC: ethyl 1-[3-(2-methylanilino)-3-oxopropyl]piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-[3-oxo-3-(2-toluidino)propyl]-4-piperidinecarboxylate
Property Insights of Ethyl 1-[3-oxo-3-(2-toluidino)propyl]-4-piperidinecarboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-[3-oxo-3-(2-toluidino)propyl]-4-piperidinecarboxylate. With a topological polar surface area (TPSA) of 58.6 Ų, Ethyl 1-[3-oxo-3-(2-toluidino)propyl]-4-piperidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-[3-oxo-3-(2-toluidino)propyl]-4-piperidinecarboxylate has 1 hydrogen bond donor(s) and 4 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-oxo-3-(2-toluidino)propyl]-4-piperidinecarboxylate?
The CAS number of Ethyl 1-[3-oxo-3-(2-toluidino)propyl]-4-piperidinecarboxylate is 428846-29-1.
What is the molecular formula of Ethyl 1-[3-oxo-3-(2-toluidino)propyl]-4-piperidinecarboxylate?
The molecular formula of Ethyl 1-[3-oxo-3-(2-toluidino)propyl]-4-piperidinecarboxylate is C18H26N2O3.
What is the molecular weight of Ethyl 1-[3-oxo-3-(2-toluidino)propyl]-4-piperidinecarboxylate?
The molecular weight of Ethyl 1-[3-oxo-3-(2-toluidino)propyl]-4-piperidinecarboxylate is 318.19 g/mol.
Where can I buy Ethyl 1-[3-oxo-3-(2-toluidino)propyl]-4-piperidinecarboxylate?
You can request a quote for Ethyl 1-[3-oxo-3-(2-toluidino)propyl]-4-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-oxo-3-(2-toluidino)propyl]-4-piperidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-[3-oxo-3-(2-toluidino)propyl]-4-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.