Ethyl 3,3-dibromo-2-oxopropanoate
TL;DR: Ethyl 3,3-dibromo-2-oxopropanoate (CAS 76179-25-4) is a chemical compound with molecular formula C5H6Br2O3 and molecular weight 271.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3-dibromo-2-oxopropanoate
Also Known As: Ethyl 3,3-dibromo-2-oxopropanoate, Ethyl dibromopyruvate, ethyl 3,3-dibromopyruvate, Propanoic acid, 3,3-dibromo-2-oxo-, ethyl ester, ethyl 3,3-dibromo-2-oxo-propanoate
| Molecular Formula | C5H6Br2O3 |
|---|---|
| Molecular Weight | 271.87 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.86838 |
| Heavy Atoms | 10 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 76179-25-4 |
|---|---|
| SMILES | CCOC(=O)C(=O)C(Br)Br |
| InChIKey | MNNLKNXLOUVIKS-UHFFFAOYSA-N |
Product Overview
Ethyl 3,3-dibromo-2-oxopropanoate (CAS 76179-25-4), with molecular formula C5H6Br2O3 and molecular weight 271.87 g/mol. IUPAC: ethyl 3,3-dibromo-2-oxopropanoate.
Chemical Property Profile of Ethyl 3,3-dibromo-2-oxopropanoate
Property Insights of Ethyl 3,3-dibromo-2-oxopropanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,3-dibromo-2-oxopropanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 3,3-dibromo-2-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,3-dibromo-2-oxopropanoate has 0 hydrogen bond donor(s) and 3 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 3,3-dibromo-2-oxopropanoate?
The CAS number of Ethyl 3,3-dibromo-2-oxopropanoate is 76179-25-4.
What is the molecular formula of Ethyl 3,3-dibromo-2-oxopropanoate?
The molecular formula of Ethyl 3,3-dibromo-2-oxopropanoate is C5H6Br2O3.
What is the molecular weight of Ethyl 3,3-dibromo-2-oxopropanoate?
The molecular weight of Ethyl 3,3-dibromo-2-oxopropanoate is 271.87 g/mol.
Where can I buy Ethyl 3,3-dibromo-2-oxopropanoate?
You can request a quote for Ethyl 3,3-dibromo-2-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,3-dibromo-2-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,3-dibromo-2-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.