1-Piperazinepropanoic acid, beta-methyl-4-(2-pyrimidinyl)-, ethyl ester
TL;DR: 1-Piperazinepropanoic acid, beta-methyl-4-(2-pyrimidinyl)-, ethyl ester (CAS 164468-03-5) is a chemical compound with molecular formula C14H22N4O2 and molecular weight 278.1743 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)butanoate
Also Known As: Ethyl 3-(4-(2-pyrimidyl)-1-piperazinyl)butanoate, Ethyl beta-methyl-4-(2-pyrimidinyl)-1-piperazinepropanoate, 3-(4-(2-Pyrimidyl)-1-piperazinyl)buttersaure ethylester, 3-(4-(2-Pyrimidyl)-1-piperazinyl)buttersaure ethylester [German], 1-Piperazinepropanoic acid, beta-methyl-4-(2-pyrimidinyl)-, ethyl ester
Technical Specifications
| Molecular Formula | C14H22N4O2 |
| Molecular Weight | 278.1743 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 278.1743 Da |
| Heavy Atoms | 20 |
| Complexity | 300.0 |
| SMILES | CCOC(=O)CC(C)N1CCN(CC1)C2=NC=CC=N2 |
| InChIKey | BFTZCGRLTNYKMF-UHFFFAOYSA-N |
Chemical Property Profile of 1-Piperazinepropanoic acid, beta-methyl-4-(2-pyrimidinyl)-, ethyl ester
Property Insights of 1-Piperazinepropanoic acid, beta-methyl-4-(2-pyrimidinyl)-, ethyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinepropanoic acid, beta-methyl-4-(2-pyrimidinyl)-, ethyl ester. With a topological polar surface area (TPSA) of 58.6 Ų, 1-Piperazinepropanoic acid, beta-methyl-4-(2-pyrimidinyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinepropanoic acid, beta-methyl-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-methyl-4-(2-pyrimidinyl)-, ethyl ester?
The CAS number of 1-Piperazinepropanoic acid, beta-methyl-4-(2-pyrimidinyl)-, ethyl ester is 164468-03-5.
What is the molecular formula of 1-Piperazinepropanoic acid, beta-methyl-4-(2-pyrimidinyl)-, ethyl ester?
The molecular formula of 1-Piperazinepropanoic acid, beta-methyl-4-(2-pyrimidinyl)-, ethyl ester is C14H22N4O2.
What is the molecular weight of 1-Piperazinepropanoic acid, beta-methyl-4-(2-pyrimidinyl)-, ethyl ester?
The molecular weight of 1-Piperazinepropanoic acid, beta-methyl-4-(2-pyrimidinyl)-, ethyl ester is 278.1743 g/mol.
Where can I buy 1-Piperazinepropanoic acid, beta-methyl-4-(2-pyrimidinyl)-, ethyl ester?
You can request a quote for 1-Piperazinepropanoic acid, beta-methyl-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-methyl-4-(2-pyrimidinyl)-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for 1-Piperazinepropanoic acid, beta-methyl-4-(2-pyrimidinyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.