Diethyl 2-(2-bromo-2-phenylethyl)malonate
TL;DR: Diethyl 2-(2-bromo-2-phenylethyl)malonate (CAS 116400-67-0) is a chemical compound with molecular formula C15H19BrO4 and molecular weight 342.04666 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-(2-bromo-2-phenylethyl)propanedioate
Also Known As: diethyl (2-bromo-2-phenylethyl)malonate, Diethyl 2-(2-bromo-2-phenylethyl)malonate, diethyl 2-(2-bromo-2-phenylethyl)propanedioate, Malonic acid, beta-bromophenethyl-, diethyl ester
Technical Specifications
| Molecular Formula | C15H19BrO4 |
| Molecular Weight | 342.04666 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 342.04666 Da |
| Heavy Atoms | 20 |
| Complexity | 295.0 |
| SMILES | CCOC(=O)C(CC(C1=CC=CC=C1)Br)C(=O)OCC |
| InChIKey | QNUOOZOJYQNGMC-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl 2-(2-bromo-2-phenylethyl)malonate
Property Insights of Diethyl 2-(2-bromo-2-phenylethyl)malonate
The XLogP value of 3.6 indicates that Diethyl 2-(2-bromo-2-phenylethyl)malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2-(2-bromo-2-phenylethyl)malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-(2-bromo-2-phenylethyl)malonate 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
What is the CAS number of Diethyl 2-(2-bromo-2-phenylethyl)malonate?
The CAS number of Diethyl 2-(2-bromo-2-phenylethyl)malonate is 116400-67-0.
What is the molecular formula of Diethyl 2-(2-bromo-2-phenylethyl)malonate?
The molecular formula of Diethyl 2-(2-bromo-2-phenylethyl)malonate is C15H19BrO4.
What is the molecular weight of Diethyl 2-(2-bromo-2-phenylethyl)malonate?
The molecular weight of Diethyl 2-(2-bromo-2-phenylethyl)malonate is 342.04666 g/mol.
Where can I buy Diethyl 2-(2-bromo-2-phenylethyl)malonate?
You can request a quote for Diethyl 2-(2-bromo-2-phenylethyl)malonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl 2-(2-bromo-2-phenylethyl)malonate?
Yes, CoreyChem provides custom synthesis services for Diethyl 2-(2-bromo-2-phenylethyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.