![4-[2-(4-Bromo-phenylcarbamoyl)-ethyl]-piperazine-1-carboxylic acid ethyl ester structure](/static/products/4288/428840-69-1.webp)
4-[2-(4-Bromo-phenylcarbamoyl)-ethyl]-piperazine-1-carboxylic acid ethyl ester
TL;DR: 4-[2-(4-Bromo-phenylcarbamoyl)-ethyl]-piperazine-1-carboxylic acid ethyl ester (CAS 428840-69-1) is a chemical compound with molecular formula C16H22BrN3O3 and molecular weight 383.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(4-bromoanilino)-3-oxopropyl]piperazine-1-carboxylate
Also Known As: BAS 03086189, AT-057/40758453, 4-[2-(4-Bromo-phenylcarbamoyl)-ethyl]-piperazine-1-carboxylic acid ethyl ester, ethyl 4-[3-(4-bromoanilino)-3-oxopropyl]-1-piperazinecarboxylate, ethyl 4-[3-(4-bromoanilino)-3-oxopropyl]piperazine-1-carboxylate
| Molecular Formula | C16H22BrN3O3 |
|---|---|
| Molecular Weight | 383.08 g/mol |
| LogP | 2.5518 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.08444 |
| Heavy Atoms | 23 |
| Complexity | 527.87695 |
Chemical Identifiers
| CAS Number | 428840-69-1 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)Br |
Product Overview
4-[2-(4-Bromo-phenylcarbamoyl)-ethyl]-piperazine-1-carboxylic acid ethyl ester (CAS 428840-69-1), with molecular formula C16H22BrN3O3 and molecular weight 383.08 g/mol. IUPAC: ethyl 4-[3-(4-bromoanilino)-3-oxopropyl]piperazine-1-carboxylate.
Chemical Property Profile of 4-[2-(4-Bromo-phenylcarbamoyl)-ethyl]-piperazine-1-carboxylic acid ethyl ester
Property Insights of 4-[2-(4-Bromo-phenylcarbamoyl)-ethyl]-piperazine-1-carboxylic acid ethyl ester
The XLogP value of 2.5518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(4-Bromo-phenylcarbamoyl)-ethyl]-piperazine-1-carboxylic acid ethyl ester. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(4-Bromo-phenylcarbamoyl)-ethyl]-piperazine-1-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 4-[2-(4-Bromo-phenylcarbamoyl)-ethyl]-piperazine-1-carboxylic acid ethyl ester 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 4-[2-(4-Bromo-phenylcarbamoyl)-ethyl]-piperazine-1-carboxylic acid ethyl ester?
The CAS number of 4-[2-(4-Bromo-phenylcarbamoyl)-ethyl]-piperazine-1-carboxylic acid ethyl ester is 428840-69-1.
What is the molecular formula of 4-[2-(4-Bromo-phenylcarbamoyl)-ethyl]-piperazine-1-carboxylic acid ethyl ester?
The molecular formula of 4-[2-(4-Bromo-phenylcarbamoyl)-ethyl]-piperazine-1-carboxylic acid ethyl ester is C16H22BrN3O3.
What is the molecular weight of 4-[2-(4-Bromo-phenylcarbamoyl)-ethyl]-piperazine-1-carboxylic acid ethyl ester?
The molecular weight of 4-[2-(4-Bromo-phenylcarbamoyl)-ethyl]-piperazine-1-carboxylic acid ethyl ester is 383.08 g/mol.
Where can I buy 4-[2-(4-Bromo-phenylcarbamoyl)-ethyl]-piperazine-1-carboxylic acid ethyl ester?
You can request a quote for 4-[2-(4-Bromo-phenylcarbamoyl)-ethyl]-piperazine-1-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(4-Bromo-phenylcarbamoyl)-ethyl]-piperazine-1-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(4-Bromo-phenylcarbamoyl)-ethyl]-piperazine-1-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.