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Ethyl 4-[(4-bromo-3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate
TL;DR: Ethyl 4-[(4-bromo-3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate (CAS 434304-27-5) is a chemical compound with molecular formula C17H23BrN2O4 and molecular weight 398.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(4-bromo-3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate
Also Known As: BAS 05618823, ethyl 4-(2-(4-bromo-3,5-dimethylphenoxy)acetyl)piperazine-1-carboxylate, ethyl 4-[(4-bromo-3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate, ethyl 4-[2-(4-bromo-3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate
| Molecular Formula | C17H23BrN2O4 |
|---|---|
| Molecular Weight | 398.08 g/mol |
| LogP | 2.74544 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.0841 |
| Heavy Atoms | 24 |
| Complexity | 589.6033 |
Chemical Identifiers
| CAS Number | 434304-27-5 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)COC2=CC(=C(C(=C2)C)Br)C |
Product Overview
Ethyl 4-[(4-bromo-3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate (CAS 434304-27-5), with molecular formula C17H23BrN2O4 and molecular weight 398.08 g/mol. IUPAC: ethyl 4-[2-(4-bromo-3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-[(4-bromo-3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate
Property Insights of Ethyl 4-[(4-bromo-3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate
The XLogP value of 2.74544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(4-bromo-3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate. With a topological polar surface area (TPSA) of 59.08 Ų, Ethyl 4-[(4-bromo-3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[(4-bromo-3,5-dimethylphenoxy)acetyl]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
Frequently Asked Questions
What is the CAS number of Ethyl 4-[(4-bromo-3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate?
The CAS number of Ethyl 4-[(4-bromo-3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate is 434304-27-5.
What is the molecular formula of Ethyl 4-[(4-bromo-3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate?
The molecular formula of Ethyl 4-[(4-bromo-3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate is C17H23BrN2O4.
What is the molecular weight of Ethyl 4-[(4-bromo-3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate?
The molecular weight of Ethyl 4-[(4-bromo-3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate is 398.08 g/mol.
Where can I buy Ethyl 4-[(4-bromo-3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate?
You can request a quote for Ethyl 4-[(4-bromo-3,5-dimethylphenoxy)acetyl]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-[(4-bromo-3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(4-bromo-3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.