tert-Butyl 3-(2,5-dibromo-3-methylimidazol-4-yl)-3-oxo-propanoate
TL;DR: tert-Butyl 3-(2,5-dibromo-3-methylimidazol-4-yl)-3-oxo-propanoate (CAS 138335-95-2) is a chemical compound with molecular formula C11H14Br2N2O3 and molecular weight 379.93713 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 3-(2,5-dibromo-3-methylimidazol-4-yl)-3-oxopropanoate
Also Known As: tert-Butyl 3-(2,5-dibromo-3-methylimidazol-4-yl)-3-oxo-propanoate, tert-butyl 3-(2,5-dibromo-3-methylimidazol-4-yl)-3-oxopropanoate, tert-Butyl 3-(2,4-dibromo-1-methyl-1H-imidazol-5-yl)-3-oxopropanoate, Tert-butyl 3-(2,5-dibromo-3-methyl-imidazol-4-yl)-3-oxo-propanoate
Technical Specifications
| Molecular Formula | C11H14Br2N2O3 |
| Molecular Weight | 379.93713 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 61.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.93713 Da |
| Heavy Atoms | 18 |
| Complexity | 344.0 |
| SMILES | CC(C)(C)OC(=O)CC(=O)C1=C(N=C(N1C)Br)Br |
| InChIKey | ZPDYFBWVQHACIP-UHFFFAOYSA-N |
Chemical Property Profile of tert-Butyl 3-(2,5-dibromo-3-methylimidazol-4-yl)-3-oxo-propanoate
Property Insights of tert-Butyl 3-(2,5-dibromo-3-methylimidazol-4-yl)-3-oxo-propanoate
The XLogP value of 3.1 indicates that tert-Butyl 3-(2,5-dibromo-3-methylimidazol-4-yl)-3-oxo-propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl 3-(2,5-dibromo-3-methylimidazol-4-yl)-3-oxo-propanoate. Following Lipinski's Rule of Five, tert-Butyl 3-(2,5-dibromo-3-methylimidazol-4-yl)-3-oxo-propanoate 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
What is the CAS number of tert-Butyl 3-(2,5-dibromo-3-methylimidazol-4-yl)-3-oxo-propanoate?
The CAS number of tert-Butyl 3-(2,5-dibromo-3-methylimidazol-4-yl)-3-oxo-propanoate is 138335-95-2.
What is the molecular formula of tert-Butyl 3-(2,5-dibromo-3-methylimidazol-4-yl)-3-oxo-propanoate?
The molecular formula of tert-Butyl 3-(2,5-dibromo-3-methylimidazol-4-yl)-3-oxo-propanoate is C11H14Br2N2O3.
What is the molecular weight of tert-Butyl 3-(2,5-dibromo-3-methylimidazol-4-yl)-3-oxo-propanoate?
The molecular weight of tert-Butyl 3-(2,5-dibromo-3-methylimidazol-4-yl)-3-oxo-propanoate is 379.93713 g/mol.
Where can I buy tert-Butyl 3-(2,5-dibromo-3-methylimidazol-4-yl)-3-oxo-propanoate?
You can request a quote for tert-Butyl 3-(2,5-dibromo-3-methylimidazol-4-yl)-3-oxo-propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-Butyl 3-(2,5-dibromo-3-methylimidazol-4-yl)-3-oxo-propanoate?
Yes, CoreyChem provides custom synthesis services for tert-Butyl 3-(2,5-dibromo-3-methylimidazol-4-yl)-3-oxo-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.