Ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate
TL;DR: Ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate (CAS 136558-12-8) is a chemical compound with molecular formula C9H15BrO3 and molecular weight 250.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate
Also Known As: ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate, 4818AD, Ethyl 5-bromo-2,2-dimethyl-4-oxo-pentanoate, 5-Bromo-2,2-dimethyl-4-oxopentanoic Acid Ethyl Ester, J2.689.131K
| Molecular Formula | C9H15BrO3 |
|---|---|
| Molecular Weight | 250.02 g/mol |
| LogP | 1.9298 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.02046 |
| Heavy Atoms | 13 |
| Complexity | 199.0365 |
Chemical Identifiers
| CAS Number | 136558-12-8 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)CC(=O)CBr |
Product Overview
Ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate (CAS 136558-12-8), with molecular formula C9H15BrO3 and molecular weight 250.02 g/mol. IUPAC: ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate.
Chemical Property Profile of Ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate
Property Insights of Ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate
The XLogP value of 1.9298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-bromo-2,2-dimethyl-4-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
Frequently Asked Questions
What is the CAS number of Ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate?
The CAS number of Ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate is 136558-12-8.
What is the molecular formula of Ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate?
The molecular formula of Ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate is C9H15BrO3.
What is the molecular weight of Ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate?
The molecular weight of Ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate is 250.02 g/mol.
Where can I buy Ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate?
You can request a quote for Ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-bromo-2,2-dimethyl-4-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.