Dimethyl bromomalonate
TL;DR: Dimethyl bromomalonate (CAS 868-26-8) is a chemical compound with molecular formula C5H7BrO4 and molecular weight 209.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-bromopropanedioate
Also Known As: Dimethyl bromomalonate, Dimethyl 2-bromomalonate, dimethyl 2-bromopropanedioate, DIMETHYLBROMOMALONATE, 2-Bromo dimethyl malonate
| Molecular Formula | C5H7BrO4 |
|---|---|
| Molecular Weight | 209.95 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.95277 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 868-26-8 |
|---|---|
| SMILES | COC(=O)C(C(=O)OC)Br |
| InChIKey | NEMOJKROKMMQBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl bromomalonate (CAS 868-26-8), with molecular formula C5H7BrO4 and molecular weight 209.95 g/mol. IUPAC: dimethyl 2-bromopropanedioate.
Chemical Property Profile of Dimethyl bromomalonate
Property Insights of Dimethyl bromomalonate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl bromomalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl bromomalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 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 Dimethyl bromomalonate?
The CAS number of Dimethyl bromomalonate is 868-26-8.
What is the molecular formula of Dimethyl bromomalonate?
The molecular formula of Dimethyl bromomalonate is C5H7BrO4.
What is the molecular weight of Dimethyl bromomalonate?
The molecular weight of Dimethyl bromomalonate is 209.95 g/mol.
Where can I buy Dimethyl bromomalonate?
You can request a quote for Dimethyl bromomalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl bromomalonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl bromomalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.