Methyl 4-bromo-3-oxopentanoate
TL;DR: Methyl 4-bromo-3-oxopentanoate (CAS 105983-77-5) is a chemical compound with molecular formula C6H9BrO3 and molecular weight 207.97351 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-bromo-3-oxopentanoate
Also Known As: METHYL 4-BROMO-3-OXOPENTANOATE, Methyl 4-bromo-3-oxo-pentanoate, 4-Bromo-3-oxo-pentanoic acid methyl ester, methyl 4-bromo-3-oxovalerate, methyl-4-bromo-3-oxopentanoate
Technical Specifications
| Molecular Formula | C6H9BrO3 |
| Molecular Weight | 207.97351 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.97351 Da |
| Heavy Atoms | 10 |
| Complexity | 144.0 |
| SMILES | CC(C(=O)CC(=O)OC)Br |
| InChIKey | HCBQTGAZENNMLM-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-bromo-3-oxopentanoate
Property Insights of Methyl 4-bromo-3-oxopentanoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-bromo-3-oxopentanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 4-bromo-3-oxopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-bromo-3-oxopentanoate 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
What is the CAS number of Methyl 4-bromo-3-oxopentanoate?
The CAS number of Methyl 4-bromo-3-oxopentanoate is 105983-77-5.
What is the molecular formula of Methyl 4-bromo-3-oxopentanoate?
The molecular formula of Methyl 4-bromo-3-oxopentanoate is C6H9BrO3.
What is the molecular weight of Methyl 4-bromo-3-oxopentanoate?
The molecular weight of Methyl 4-bromo-3-oxopentanoate is 207.97351 g/mol.
Where can I buy Methyl 4-bromo-3-oxopentanoate?
You can request a quote for Methyl 4-bromo-3-oxopentanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-bromo-3-oxopentanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-bromo-3-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.