![Ethyl 4-bromo-3-chloro-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate structure](/static/products/149/149416-33-1.webp)
Ethyl 4-bromo-3-chloro-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate
TL;DR: Ethyl 4-bromo-3-chloro-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate (CAS 149416-33-1) is a chemical compound with molecular formula C10H12BrClO4 and molecular weight 309.96075 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-bromo-3-chloro-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate
Also Known As: ethyl 4-bromo-3-chloro-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate, Bicyclo[3.2.1]octane-2-carboxylic acid, 4-bromo-3-chloro-7-oxo-6-oxa-, ethyl ester, ethyl4-bromo-3-chloro-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate
Technical Specifications
| Molecular Formula | C10H12BrClO4 |
| Molecular Weight | 309.96075 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.96075 Da |
| Heavy Atoms | 16 |
| Complexity | 322.0 |
| SMILES | CCOC(=O)C1C2CC(C(C1Cl)Br)OC2=O |
| InChIKey | JKKDXLXBGLGRJZ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-bromo-3-chloro-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate
Property Insights of Ethyl 4-bromo-3-chloro-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-bromo-3-chloro-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 4-bromo-3-chloro-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-bromo-3-chloro-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate 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 Ethyl 4-bromo-3-chloro-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate?
The CAS number of Ethyl 4-bromo-3-chloro-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate is 149416-33-1.
What is the molecular formula of Ethyl 4-bromo-3-chloro-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate?
The molecular formula of Ethyl 4-bromo-3-chloro-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate is C10H12BrClO4.
What is the molecular weight of Ethyl 4-bromo-3-chloro-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate?
The molecular weight of Ethyl 4-bromo-3-chloro-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate is 309.96075 g/mol.
Where can I buy Ethyl 4-bromo-3-chloro-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate?
You can request a quote for Ethyl 4-bromo-3-chloro-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-bromo-3-chloro-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-bromo-3-chloro-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.