Dimethyl dibromomalonate
TL;DR: Dimethyl dibromomalonate (CAS 37167-59-2) is a chemical compound with molecular formula C5H6Br2O4 and molecular weight 287.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,2-dibromopropanedioate
Also Known As: Dimethyl dibromomalonate, dimethyl 2,2-dibromopropanedioate, Dimethyl 2,2-dibromomalonate, Dimethyl dibromopropanedioate, Propanedioic acid, dibromo-, dimethyl ester
| Molecular Formula | C5H6Br2O4 |
|---|---|
| Molecular Weight | 287.86 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.86124 |
| Heavy Atoms | 11 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 37167-59-2 |
|---|---|
| SMILES | COC(=O)C(C(=O)OC)(Br)Br |
| InChIKey | UWZGBUTYDAIEAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl dibromomalonate (CAS 37167-59-2), with molecular formula C5H6Br2O4 and molecular weight 287.86 g/mol. IUPAC: dimethyl 2,2-dibromopropanedioate.
Chemical Property Profile of Dimethyl dibromomalonate
Property Insights of Dimethyl dibromomalonate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl dibromomalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl dibromomalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl dibromomalonate 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 dibromomalonate?
The CAS number of Dimethyl dibromomalonate is 37167-59-2.
What is the molecular formula of Dimethyl dibromomalonate?
The molecular formula of Dimethyl dibromomalonate is C5H6Br2O4.
What is the molecular weight of Dimethyl dibromomalonate?
The molecular weight of Dimethyl dibromomalonate is 287.86 g/mol.
Where can I buy Dimethyl dibromomalonate?
You can request a quote for Dimethyl dibromomalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl dibromomalonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl dibromomalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.