1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester
TL;DR: 1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester (CAS 164468-02-4) is a chemical compound with molecular formula C13H18N4O3 and molecular weight 278.13788 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoate
Also Known As: Ethyl beta-oxo-4-(2-pyrimidinyl)-1-piperazinepropanoate, 1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester, Ethyl 3-(4-(2-pyrimidinyl)-1-piperazinyl)-3-oxopropanoate, 3-(4-(2-Pyrimidinyl)-1-piperazinyl)-3-oxopropionsaure ethylester [German], 3-(4-(2-Pyrimidinyl)-1-piperazinyl)-3-oxopropionsaure ethylester
Technical Specifications
| Molecular Formula | C13H18N4O3 |
| Molecular Weight | 278.13788 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.13788 Da |
| Heavy Atoms | 20 |
| Complexity | 337.0 |
| SMILES | CCOC(=O)CC(=O)N1CCN(CC1)C2=NC=CC=N2 |
| InChIKey | PSHWHAAJKLYULP-UHFFFAOYSA-N |
Chemical Property Profile of 1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester
Property Insights of 1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester. Following Lipinski's Rule of Five, 1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester?
The CAS number of 1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester is 164468-02-4.
What is the molecular formula of 1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester?
The molecular formula of 1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester is C13H18N4O3.
What is the molecular weight of 1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester?
The molecular weight of 1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester is 278.13788 g/mol.
Where can I buy 1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester?
You can request a quote for 1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for 1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.