![Ethyl 4-{3-[(4-bromo-3-methylphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate structure](/static/products/4417/441745-46-6.webp)
Ethyl 4-{3-[(4-bromo-3-methylphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate
TL;DR: Ethyl 4-{3-[(4-bromo-3-methylphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate (CAS 441745-46-6) is a chemical compound with molecular formula C17H24BrN3O3 and molecular weight 397.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(4-bromo-3-methylanilino)-3-oxopropyl]piperazine-1-carboxylate
Also Known As: BAS 03086223, AT-057/43314347, ETHYL 4-{2-[(4-BROMO-3-METHYLPHENYL)CARBAMOYL]ETHYL}PIPERAZINE-1-CARBOXYLATE, ethyl 4-{3-[(4-bromo-3-methylphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate, ethyl 4-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-1-piperazinecarboxylate
| Molecular Formula | C17H24BrN3O3 |
|---|---|
| Molecular Weight | 397.10 g/mol |
| LogP | 2.86022 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.1001 |
| Heavy Atoms | 24 |
| Complexity | 586.44354 |
Chemical Identifiers
| CAS Number | 441745-46-6 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CCC(=O)NC2=CC(=C(C=C2)Br)C |
Product Overview
Ethyl 4-{3-[(4-bromo-3-methylphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate (CAS 441745-46-6), with molecular formula C17H24BrN3O3 and molecular weight 397.10 g/mol. IUPAC: ethyl 4-[3-(4-bromo-3-methylanilino)-3-oxopropyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-{3-[(4-bromo-3-methylphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate
Property Insights of Ethyl 4-{3-[(4-bromo-3-methylphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate
The XLogP value of 2.86022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{3-[(4-bromo-3-methylphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{3-[(4-bromo-3-methylphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-{3-[(4-bromo-3-methylphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate 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-[(4-bromo-3-methylphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate?
The CAS number of Ethyl 4-{3-[(4-bromo-3-methylphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate is 441745-46-6.
What is the molecular formula of Ethyl 4-{3-[(4-bromo-3-methylphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate?
The molecular formula of Ethyl 4-{3-[(4-bromo-3-methylphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate is C17H24BrN3O3.
What is the molecular weight of Ethyl 4-{3-[(4-bromo-3-methylphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate?
The molecular weight of Ethyl 4-{3-[(4-bromo-3-methylphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate is 397.10 g/mol.
Where can I buy Ethyl 4-{3-[(4-bromo-3-methylphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate?
You can request a quote for Ethyl 4-{3-[(4-bromo-3-methylphenyl)amino]-3-oxopropyl}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-{3-[(4-bromo-3-methylphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{3-[(4-bromo-3-methylphenyl)amino]-3-oxopropyl}piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.