(E)-ethyl 2-((4-bromophenyl)carbamoyl)-3-ethoxyacrylate
TL;DR: (E)-ethyl 2-((4-bromophenyl)carbamoyl)-3-ethoxyacrylate (CAS 1322191-64-9) is a chemical compound with molecular formula C14H16BrNO4 and molecular weight 341.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-[(4-bromophenyl)carbamoyl]-3-ethoxyprop-2-enoate
Also Known As: (E)-ethyl 2-((4-bromophenyl)carbamoyl)-3-ethoxyacrylate, ethyl (E)-2-[(4-bromophenyl)carbamoyl]-3-ethoxyprop-2-enoate, ethyl (2E)-2-[(4-bromophenyl)carbamoyl]-3-ethoxyprop-2-enoate, F1682-0037
| Molecular Formula | C14H16BrNO4 |
|---|---|
| Molecular Weight | 341.03 g/mol |
| LogP | 2.8711 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.02628 |
| Heavy Atoms | 20 |
| Complexity | 496.4003 |
Chemical Identifiers
| CAS Number | 1322191-64-9 |
|---|---|
| SMILES | CCO/C=C(\C(=O)NC1=CC=C(C=C1)Br)/C(=O)OCC |
Product Overview
(E)-ethyl 2-((4-bromophenyl)carbamoyl)-3-ethoxyacrylate (CAS 1322191-64-9), with molecular formula C14H16BrNO4 and molecular weight 341.03 g/mol. IUPAC: ethyl (E)-2-[(4-bromophenyl)carbamoyl]-3-ethoxyprop-2-enoate.
Chemical Property Profile of (E)-ethyl 2-((4-bromophenyl)carbamoyl)-3-ethoxyacrylate
Property Insights of (E)-ethyl 2-((4-bromophenyl)carbamoyl)-3-ethoxyacrylate
The XLogP value of 2.8711 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-ethyl 2-((4-bromophenyl)carbamoyl)-3-ethoxyacrylate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-((4-bromophenyl)carbamoyl)-3-ethoxyacrylate. Following Lipinski's Rule of Five, (E)-ethyl 2-((4-bromophenyl)carbamoyl)-3-ethoxyacrylate 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 (E)-ethyl 2-((4-bromophenyl)carbamoyl)-3-ethoxyacrylate?
The CAS number of (E)-ethyl 2-((4-bromophenyl)carbamoyl)-3-ethoxyacrylate is 1322191-64-9.
What is the molecular formula of (E)-ethyl 2-((4-bromophenyl)carbamoyl)-3-ethoxyacrylate?
The molecular formula of (E)-ethyl 2-((4-bromophenyl)carbamoyl)-3-ethoxyacrylate is C14H16BrNO4.
What is the molecular weight of (E)-ethyl 2-((4-bromophenyl)carbamoyl)-3-ethoxyacrylate?
The molecular weight of (E)-ethyl 2-((4-bromophenyl)carbamoyl)-3-ethoxyacrylate is 341.03 g/mol.
Where can I buy (E)-ethyl 2-((4-bromophenyl)carbamoyl)-3-ethoxyacrylate?
You can request a quote for (E)-ethyl 2-((4-bromophenyl)carbamoyl)-3-ethoxyacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 2-((4-bromophenyl)carbamoyl)-3-ethoxyacrylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-((4-bromophenyl)carbamoyl)-3-ethoxyacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.