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Ethyl 4-[3-(4-chloroanilino)-3-oxopropyl]piperazine-1-carboxylate
TL;DR: Ethyl 4-[3-(4-chloroanilino)-3-oxopropyl]piperazine-1-carboxylate (CAS 429623-43-8) is a chemical compound with molecular formula C16H22ClN3O3 and molecular weight 339.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(4-chloroanilino)-3-oxopropyl]piperazine-1-carboxylate
Also Known As: BAS 03086835, ethyl 4-[3-(4-chloroanilino)-3-oxopropyl]piperazine-1-carboxylate, AB00110318-01, AO-990/40758545, 4-[2-(4-Chloro-phenylcarbamoyl)-ethyl]-piperazine-1-carboxylic acid ethyl ester
| Molecular Formula | C16H22ClN3O3 |
|---|---|
| Molecular Weight | 339.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.13498 |
| Heavy Atoms | 23 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 429623-43-8 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)Cl |
| InChIKey | SMWJCEHGTFFKQH-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[3-(4-chloroanilino)-3-oxopropyl]piperazine-1-carboxylate (CAS 429623-43-8), with molecular formula C16H22ClN3O3 and molecular weight 339.13 g/mol. IUPAC: ethyl 4-[3-(4-chloroanilino)-3-oxopropyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-[3-(4-chloroanilino)-3-oxopropyl]piperazine-1-carboxylate
Property Insights of Ethyl 4-[3-(4-chloroanilino)-3-oxopropyl]piperazine-1-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[3-(4-chloroanilino)-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-(4-chloroanilino)-3-oxopropyl]piperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-[3-(4-chloroanilino)-3-oxopropyl]piperazine-1-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 4-[3-(4-chloroanilino)-3-oxopropyl]piperazine-1-carboxylate?
The CAS number of Ethyl 4-[3-(4-chloroanilino)-3-oxopropyl]piperazine-1-carboxylate is 429623-43-8.
What is the molecular formula of Ethyl 4-[3-(4-chloroanilino)-3-oxopropyl]piperazine-1-carboxylate?
The molecular formula of Ethyl 4-[3-(4-chloroanilino)-3-oxopropyl]piperazine-1-carboxylate is C16H22ClN3O3.
What is the molecular weight of Ethyl 4-[3-(4-chloroanilino)-3-oxopropyl]piperazine-1-carboxylate?
The molecular weight of Ethyl 4-[3-(4-chloroanilino)-3-oxopropyl]piperazine-1-carboxylate is 339.13 g/mol.
Where can I buy Ethyl 4-[3-(4-chloroanilino)-3-oxopropyl]piperazine-1-carboxylate?
You can request a quote for Ethyl 4-[3-(4-chloroanilino)-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-(4-chloroanilino)-3-oxopropyl]piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[3-(4-chloroanilino)-3-oxopropyl]piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.