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Ethyl 1-[3-oxo-3-(4-toluidino)propyl]-3-piperidinecarboxylate
TL;DR: Ethyl 1-[3-oxo-3-(4-toluidino)propyl]-3-piperidinecarboxylate (CAS 428845-99-2) 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-(4-methylanilino)-3-oxopropyl]piperidine-3-carboxylate
Also Known As: BAS 03086558, AB00109970-01, AT-057/43314081, ethyl 1-[3-oxo-3-(4-toluidino)propyl]-3-piperidinecarboxylate, ethyl 1-[3-(4-methylanilino)-3-oxopropyl]piperidine-3-carboxylate
| Molecular Formula | C18H26N2O3 |
|---|---|
| Molecular Weight | 318.19 g/mol |
| LogP | 2.59872 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.19434 |
| Heavy Atoms | 23 |
| Complexity | 527.5732 |
Chemical Identifiers
| CAS Number | 428845-99-2 |
|---|---|
| SMILES | CCOC(=O)C1CCCN(C1)CCC(=O)NC2=CC=C(C=C2)C |
Product Overview
Ethyl 1-[3-oxo-3-(4-toluidino)propyl]-3-piperidinecarboxylate (CAS 428845-99-2), with molecular formula C18H26N2O3 and molecular weight 318.19 g/mol. IUPAC: ethyl 1-[3-(4-methylanilino)-3-oxopropyl]piperidine-3-carboxylate.
Chemical Property Profile of Ethyl 1-[3-oxo-3-(4-toluidino)propyl]-3-piperidinecarboxylate
Property Insights of Ethyl 1-[3-oxo-3-(4-toluidino)propyl]-3-piperidinecarboxylate
The XLogP value of 2.59872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-[3-oxo-3-(4-toluidino)propyl]-3-piperidinecarboxylate. With a topological polar surface area (TPSA) of 58.64 Ų, Ethyl 1-[3-oxo-3-(4-toluidino)propyl]-3-piperidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-[3-oxo-3-(4-toluidino)propyl]-3-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-(4-toluidino)propyl]-3-piperidinecarboxylate?
The CAS number of Ethyl 1-[3-oxo-3-(4-toluidino)propyl]-3-piperidinecarboxylate is 428845-99-2.
What is the molecular formula of Ethyl 1-[3-oxo-3-(4-toluidino)propyl]-3-piperidinecarboxylate?
The molecular formula of Ethyl 1-[3-oxo-3-(4-toluidino)propyl]-3-piperidinecarboxylate is C18H26N2O3.
What is the molecular weight of Ethyl 1-[3-oxo-3-(4-toluidino)propyl]-3-piperidinecarboxylate?
The molecular weight of Ethyl 1-[3-oxo-3-(4-toluidino)propyl]-3-piperidinecarboxylate is 318.19 g/mol.
Where can I buy Ethyl 1-[3-oxo-3-(4-toluidino)propyl]-3-piperidinecarboxylate?
You can request a quote for Ethyl 1-[3-oxo-3-(4-toluidino)propyl]-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-oxo-3-(4-toluidino)propyl]-3-piperidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-[3-oxo-3-(4-toluidino)propyl]-3-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.