Diethyl bromomalonate
TL;DR: Diethyl bromomalonate (CAS 685-87-0) is a chemical compound with molecular formula C7H11BrO4 and molecular weight 237.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-bromopropanedioate
Also Known As: Diethyl bromomalonate, Diethyl 2-bromomalonate, Ethyl bromomalonate, Bromomalonic acid diethyl ester, Diethylbromomalonate
| Molecular Formula | C7H11BrO4 |
|---|---|
| Molecular Weight | 237.98 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 237.98407 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 685-87-0 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)Br |
| InChIKey | FNJVDWXUKLTFFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl bromomalonate (CAS 685-87-0), with molecular formula C7H11BrO4 and molecular weight 237.98 g/mol. IUPAC: diethyl 2-bromopropanedioate.
Chemical Property Profile of Diethyl bromomalonate
Property Insights of Diethyl bromomalonate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl bromomalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl bromomalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl bromomalonate 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 Diethyl bromomalonate?
The CAS number of Diethyl bromomalonate is 685-87-0.
What is the molecular formula of Diethyl bromomalonate?
The molecular formula of Diethyl bromomalonate is C7H11BrO4.
What is the molecular weight of Diethyl bromomalonate?
The molecular weight of Diethyl bromomalonate is 237.98 g/mol.
Where can I buy Diethyl bromomalonate?
You can request a quote for Diethyl bromomalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl bromomalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl bromomalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.