Ethyl 1-(3-((3-chloro-2-methylphenyl)amino)-3-oxopropyl)piperidine-3-carboxylate
TL;DR: Ethyl 1-(3-((3-chloro-2-methylphenyl)amino)-3-oxopropyl)piperidine-3-carboxylate (CAS 428844-80-8) is a chemical compound with molecular formula C18H25ClN2O3 and molecular weight 352.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]piperidine-3-carboxylate
Also Known As: BAS 03086252, ethyl 1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]piperidine-3-carboxylate, ethyl 1-(3-((3-chloro-2-methylphenyl)amino)-3-oxopropyl)piperidine-3-carboxylate, ETHYL 1-[3-(3-CHLORO-2-METHYLANILINO)-3-OXOPROPYL]-3-PIPERIDINECARBOXYLATE, ethyl 1-{3-[(3-chloro-2-methylphenyl)amino]-3-oxopropyl}piperidine-3-carboxylate
| Molecular Formula | C18H25ClN2O3 |
|---|---|
| Molecular Weight | 352.16 g/mol |
| LogP | 3.25212 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.15536 |
| Heavy Atoms | 24 |
| Complexity | 591.62665 |
Chemical Identifiers
| CAS Number | 428844-80-8 |
|---|---|
| SMILES | CCOC(=O)C1CCCN(C1)CCC(=O)NC2=C(C(=CC=C2)Cl)C |
Product Overview
Ethyl 1-(3-((3-chloro-2-methylphenyl)amino)-3-oxopropyl)piperidine-3-carboxylate (CAS 428844-80-8), with molecular formula C18H25ClN2O3 and molecular weight 352.16 g/mol. IUPAC: ethyl 1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]piperidine-3-carboxylate.
Chemical Property Profile of Ethyl 1-(3-((3-chloro-2-methylphenyl)amino)-3-oxopropyl)piperidine-3-carboxylate
Property Insights of Ethyl 1-(3-((3-chloro-2-methylphenyl)amino)-3-oxopropyl)piperidine-3-carboxylate
The XLogP value of 3.25212 indicates that Ethyl 1-(3-((3-chloro-2-methylphenyl)amino)-3-oxopropyl)piperidine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, Ethyl 1-(3-((3-chloro-2-methylphenyl)amino)-3-oxopropyl)piperidine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-(3-((3-chloro-2-methylphenyl)amino)-3-oxopropyl)piperidine-3-carboxylate 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-((3-chloro-2-methylphenyl)amino)-3-oxopropyl)piperidine-3-carboxylate?
The CAS number of Ethyl 1-(3-((3-chloro-2-methylphenyl)amino)-3-oxopropyl)piperidine-3-carboxylate is 428844-80-8.
What is the molecular formula of Ethyl 1-(3-((3-chloro-2-methylphenyl)amino)-3-oxopropyl)piperidine-3-carboxylate?
The molecular formula of Ethyl 1-(3-((3-chloro-2-methylphenyl)amino)-3-oxopropyl)piperidine-3-carboxylate is C18H25ClN2O3.
What is the molecular weight of Ethyl 1-(3-((3-chloro-2-methylphenyl)amino)-3-oxopropyl)piperidine-3-carboxylate?
The molecular weight of Ethyl 1-(3-((3-chloro-2-methylphenyl)amino)-3-oxopropyl)piperidine-3-carboxylate is 352.16 g/mol.
Where can I buy Ethyl 1-(3-((3-chloro-2-methylphenyl)amino)-3-oxopropyl)piperidine-3-carboxylate?
You can request a quote for Ethyl 1-(3-((3-chloro-2-methylphenyl)amino)-3-oxopropyl)piperidine-3-carboxylate 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-chloro-2-methylphenyl)amino)-3-oxopropyl)piperidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(3-((3-chloro-2-methylphenyl)amino)-3-oxopropyl)piperidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.