Malonic acid, bromoethyl-, diethyl ester
TL;DR: Malonic acid, bromoethyl-, diethyl ester (CAS 29237-78-3) is a chemical compound with molecular formula C9H15BrO4 and molecular weight 266.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-bromo-2-ethylpropanedioate
Also Known As: Malonic acid, bromoethyl-, diethyl ester, diethyl 2-bromo-2-ethylpropanedioate, 1-Benzofuran-5-ylmethylamine, diethyl 2-bromo-2-ethylmalonate, DIETHYL ETHYLBROMOMALONATE
| Molecular Formula | C9H15BrO4 |
|---|---|
| Molecular Weight | 266.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 266.01538 |
| Heavy Atoms | 14 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 29237-78-3 |
|---|---|
| SMILES | CCC(C(=O)OCC)(C(=O)OCC)Br |
| InChIKey | CNDSZGJUDZRYST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Malonic acid, bromoethyl-, diethyl ester (CAS 29237-78-3), with molecular formula C9H15BrO4 and molecular weight 266.02 g/mol. IUPAC: diethyl 2-bromo-2-ethylpropanedioate.
Chemical Property Profile of Malonic acid, bromoethyl-, diethyl ester
Property Insights of Malonic acid, bromoethyl-, diethyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malonic acid, bromoethyl-, diethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Malonic acid, bromoethyl-, diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Malonic acid, bromoethyl-, diethyl ester 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
Frequently Asked Questions
What is the CAS number of Malonic acid, bromoethyl-, diethyl ester?
The CAS number of Malonic acid, bromoethyl-, diethyl ester is 29237-78-3.
What is the molecular formula of Malonic acid, bromoethyl-, diethyl ester?
The molecular formula of Malonic acid, bromoethyl-, diethyl ester is C9H15BrO4.
What is the molecular weight of Malonic acid, bromoethyl-, diethyl ester?
The molecular weight of Malonic acid, bromoethyl-, diethyl ester is 266.02 g/mol.
Where can I buy Malonic acid, bromoethyl-, diethyl ester?
You can request a quote for Malonic acid, bromoethyl-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malonic acid, bromoethyl-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Malonic acid, bromoethyl-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.