![Ethyl 4-[3-oxo-3-(3-toluidino)propyl]-1-piperazinecarboxylate structure](/static/products/441/441745-51-3.png)
Ethyl 4-[3-oxo-3-(3-toluidino)propyl]-1-piperazinecarboxylate
TL;DR: Ethyl 4-[3-oxo-3-(3-toluidino)propyl]-1-piperazinecarboxylate (CAS 441745-51-3) is a chemical compound with molecular formula C17H25N3O3 and molecular weight 319.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(3-methylanilino)-3-oxopropyl]piperazine-1-carboxylate
Also Known As: BAS 03086393, AT-057/43314306, ethyl 4-[3-oxo-3-(3-toluidino)propyl]-1-piperazinecarboxylate, ethyl 4-[3-(3-methylanilino)-3-oxopropyl]piperazine-1-carboxylate, 4-(2-m-Tolylcarbamoyl-ethyl)-piperazine-1-carboxylic acid ethyl ester
| Molecular Formula | C17H25N3O3 |
|---|---|
| Molecular Weight | 319.19 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.1896 |
| Heavy Atoms | 23 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 441745-51-3 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CCC(=O)NC2=CC=CC(=C2)C |
| InChIKey | NTNJUHIEJDPCSF-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[3-oxo-3-(3-toluidino)propyl]-1-piperazinecarboxylate (CAS 441745-51-3), with molecular formula C17H25N3O3 and molecular weight 319.19 g/mol. IUPAC: ethyl 4-[3-(3-methylanilino)-3-oxopropyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-[3-oxo-3-(3-toluidino)propyl]-1-piperazinecarboxylate
Property Insights of Ethyl 4-[3-oxo-3-(3-toluidino)propyl]-1-piperazinecarboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[3-oxo-3-(3-toluidino)propyl]-1-piperazinecarboxylate. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[3-oxo-3-(3-toluidino)propyl]-1-piperazinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-[3-oxo-3-(3-toluidino)propyl]-1-piperazinecarboxylate 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-oxo-3-(3-toluidino)propyl]-1-piperazinecarboxylate?
The CAS number of Ethyl 4-[3-oxo-3-(3-toluidino)propyl]-1-piperazinecarboxylate is 441745-51-3.
What is the molecular formula of Ethyl 4-[3-oxo-3-(3-toluidino)propyl]-1-piperazinecarboxylate?
The molecular formula of Ethyl 4-[3-oxo-3-(3-toluidino)propyl]-1-piperazinecarboxylate is C17H25N3O3.
What is the molecular weight of Ethyl 4-[3-oxo-3-(3-toluidino)propyl]-1-piperazinecarboxylate?
The molecular weight of Ethyl 4-[3-oxo-3-(3-toluidino)propyl]-1-piperazinecarboxylate is 319.19 g/mol.
Where can I buy Ethyl 4-[3-oxo-3-(3-toluidino)propyl]-1-piperazinecarboxylate?
You can request a quote for Ethyl 4-[3-oxo-3-(3-toluidino)propyl]-1-piperazinecarboxylate 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-oxo-3-(3-toluidino)propyl]-1-piperazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[3-oxo-3-(3-toluidino)propyl]-1-piperazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.