Ethyl 4-((N-(2-bromophenyl)carbamoyl)methyl)piperazinecarboxylate
TL;DR: Ethyl 4-((N-(2-bromophenyl)carbamoyl)methyl)piperazinecarboxylate (CAS 954849-18-4) is a chemical compound with molecular formula C15H20BrN3O3 and molecular weight 369.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(2-bromoanilino)-2-oxoethyl]piperazine-1-carboxylate
Also Known As: ETHYL 4-((N-(2-BROMOPHENYL)CARBAMOYL)METHYL)PIPERAZINECARBOXYLATE, ethyl 4-[2-(2-bromoanilino)-2-oxoethyl]piperazine-1-carboxylate, Ethyl 4-[(2-bromophenyl)carbamoylmethyl]piperazine-1-carboxylate, ethyl 4-[2-(2-bromoanilino)-2-oxo-ethyl]piperazine-1-carboxylate, ethyl 4-{[(2-bromophenyl)carbamoyl]methyl}piperazine-1-carboxylate
| Molecular Formula | C15H20BrN3O3 |
|---|---|
| Molecular Weight | 369.07 g/mol |
| LogP | 2.1617 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.0688 |
| Heavy Atoms | 22 |
| Complexity | 530.51886 |
Chemical Identifiers
| CAS Number | 954849-18-4 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC(=O)NC2=CC=CC=C2Br |
Product Overview
Ethyl 4-((N-(2-bromophenyl)carbamoyl)methyl)piperazinecarboxylate (CAS 954849-18-4), with molecular formula C15H20BrN3O3 and molecular weight 369.07 g/mol. IUPAC: ethyl 4-[2-(2-bromoanilino)-2-oxoethyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-((N-(2-bromophenyl)carbamoyl)methyl)piperazinecarboxylate
Property Insights of Ethyl 4-((N-(2-bromophenyl)carbamoyl)methyl)piperazinecarboxylate
The XLogP value of 2.1617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-((N-(2-bromophenyl)carbamoyl)methyl)piperazinecarboxylate. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-((N-(2-bromophenyl)carbamoyl)methyl)piperazinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-((N-(2-bromophenyl)carbamoyl)methyl)piperazinecarboxylate 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-((N-(2-bromophenyl)carbamoyl)methyl)piperazinecarboxylate?
The CAS number of Ethyl 4-((N-(2-bromophenyl)carbamoyl)methyl)piperazinecarboxylate is 954849-18-4.
What is the molecular formula of Ethyl 4-((N-(2-bromophenyl)carbamoyl)methyl)piperazinecarboxylate?
The molecular formula of Ethyl 4-((N-(2-bromophenyl)carbamoyl)methyl)piperazinecarboxylate is C15H20BrN3O3.
What is the molecular weight of Ethyl 4-((N-(2-bromophenyl)carbamoyl)methyl)piperazinecarboxylate?
The molecular weight of Ethyl 4-((N-(2-bromophenyl)carbamoyl)methyl)piperazinecarboxylate is 369.07 g/mol.
Where can I buy Ethyl 4-((N-(2-bromophenyl)carbamoyl)methyl)piperazinecarboxylate?
You can request a quote for Ethyl 4-((N-(2-bromophenyl)carbamoyl)methyl)piperazinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-((N-(2-bromophenyl)carbamoyl)methyl)piperazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-((N-(2-bromophenyl)carbamoyl)methyl)piperazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.