Ethyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate
TL;DR: Ethyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate (CAS 158399-59-8) is a chemical compound with molecular formula C12H16BrN3O2 and molecular weight 313.0426 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(5-bromo-2-pyridinyl)piperazine-1-carboxylate
Also Known As: Ethyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate, ethyl 4-(5-bromo-2-pyridyl)piperazinecarboxylate, ethyl 4-(5-bromo-2-pyridinyl)-1-piperazinecarboxylate, 1-piperazinecarboxylic acid, 4-(5-bromo-2-pyridinyl)-, ethyl ester
Technical Specifications
| Molecular Formula | C12H16BrN3O2 |
| Molecular Weight | 313.0426 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 45.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.0426 Da |
| Heavy Atoms | 18 |
| Complexity | 282.0 |
| SMILES | CCOC(=O)N1CCN(CC1)C2=NC=C(C=C2)Br |
| InChIKey | YDDWBNIEKKDQIV-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate
Property Insights of Ethyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate. With a topological polar surface area (TPSA) of 45.7 Ų, Ethyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate?
The CAS number of Ethyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate is 158399-59-8.
What is the molecular formula of Ethyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate?
The molecular formula of Ethyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate is C12H16BrN3O2.
What is the molecular weight of Ethyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate?
The molecular weight of Ethyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate is 313.0426 g/mol.
Where can I buy Ethyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate?
You can request a quote for Ethyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.