Diethyl bromomethylmalonate
TL;DR: Diethyl bromomethylmalonate (CAS 29263-94-3) is a chemical compound with molecular formula C8H13BrO4 and molecular weight 252.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-bromo-2-methylpropanedioate
Also Known As: Diethyl 2-bromo-2-methylmalonate, Diethyl bromomethylmalonate, diethyl 2-bromo-2-methylpropanedioate, Diethyl methylbromomalonate, Diethyl2-bromo-2-methylmalonate
| Molecular Formula | C8H13BrO4 |
|---|---|
| Molecular Weight | 252.00 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.99973 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 29263-94-3 |
|---|---|
| SMILES | CCOC(=O)C(C)(C(=O)OCC)Br |
| InChIKey | CSLQAXTUGPUBCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl bromomethylmalonate (CAS 29263-94-3), with molecular formula C8H13BrO4 and molecular weight 252.00 g/mol. IUPAC: diethyl 2-bromo-2-methylpropanedioate.
Chemical Property Profile of Diethyl bromomethylmalonate
Property Insights of Diethyl bromomethylmalonate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl bromomethylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl bromomethylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl bromomethylmalonate 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 bromomethylmalonate?
The CAS number of Diethyl bromomethylmalonate is 29263-94-3.
What is the molecular formula of Diethyl bromomethylmalonate?
The molecular formula of Diethyl bromomethylmalonate is C8H13BrO4.
What is the molecular weight of Diethyl bromomethylmalonate?
The molecular weight of Diethyl bromomethylmalonate is 252.00 g/mol.
Where can I buy Diethyl bromomethylmalonate?
You can request a quote for Diethyl bromomethylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl bromomethylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl bromomethylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.