Ethyl dibromoacetate
TL;DR: Ethyl dibromoacetate (CAS 617-33-4) is a chemical compound with molecular formula C4H6Br2O2 and molecular weight 243.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-dibromoacetate
Also Known As: Ethyl dibromoacetate, ethyldibromoacetate, ethyl 2,2-dibromoacetate, Acetic acid, dibromo-, ethyl ester, Ethyl dibromo acetate
| Molecular Formula | C4H6Br2O2 |
|---|---|
| Molecular Weight | 243.87 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.87141 |
| Heavy Atoms | 8 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 617-33-4 |
|---|---|
| SMILES | CCOC(=O)C(Br)Br |
| InChIKey | NIJGVVHCUXNSLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl dibromoacetate (CAS 617-33-4), with molecular formula C4H6Br2O2 and molecular weight 243.87 g/mol. IUPAC: ethyl 2,2-dibromoacetate.
Chemical Property Profile of Ethyl dibromoacetate
Property Insights of Ethyl dibromoacetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl dibromoacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl dibromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl dibromoacetate has 0 hydrogen bond donor(s) and 2 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 Ethyl dibromoacetate?
The CAS number of Ethyl dibromoacetate is 617-33-4.
What is the molecular formula of Ethyl dibromoacetate?
The molecular formula of Ethyl dibromoacetate is C4H6Br2O2.
What is the molecular weight of Ethyl dibromoacetate?
The molecular weight of Ethyl dibromoacetate is 243.87 g/mol.
Where can I buy Ethyl dibromoacetate?
You can request a quote for Ethyl dibromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl dibromoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl dibromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.