Ethyl 4-bromo-2,2-diethyl-3-oxobutanoate
TL;DR: Ethyl 4-bromo-2,2-diethyl-3-oxobutanoate (CAS 99975-19-6) is a chemical compound with molecular formula C10H17BrO3 and molecular weight 264.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-bromo-2,2-diethyl-3-oxobutanoate
Also Known As: Ethyl 4-bromo-2,2-diethyl-3-oxobutanoate, Ethyl 4-bromo-2,2-diethyl-3-oxobutanoate #, Butanoic acid, 4-bromo-2,2-diethyl-3-oxo-, ethyl ester, Butanoic acid-3-oxo, 4-bromo-2,2-diethyl-, ethyl ester, RefChem:343858
| Molecular Formula | C10H17BrO3 |
|---|---|
| Molecular Weight | 264.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 264.0361 |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 99975-19-6 |
|---|---|
| SMILES | CCC(CC)(C(=O)CBr)C(=O)OCC |
| InChIKey | BJFXKTGXTFNBJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-bromo-2,2-diethyl-3-oxobutanoate (CAS 99975-19-6), with molecular formula C10H17BrO3 and molecular weight 264.04 g/mol. IUPAC: ethyl 4-bromo-2,2-diethyl-3-oxobutanoate.
Chemical Property Profile of Ethyl 4-bromo-2,2-diethyl-3-oxobutanoate
Property Insights of Ethyl 4-bromo-2,2-diethyl-3-oxobutanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-bromo-2,2-diethyl-3-oxobutanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 4-bromo-2,2-diethyl-3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-bromo-2,2-diethyl-3-oxobutanoate 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 4-bromo-2,2-diethyl-3-oxobutanoate?
The CAS number of Ethyl 4-bromo-2,2-diethyl-3-oxobutanoate is 99975-19-6.
What is the molecular formula of Ethyl 4-bromo-2,2-diethyl-3-oxobutanoate?
The molecular formula of Ethyl 4-bromo-2,2-diethyl-3-oxobutanoate is C10H17BrO3.
What is the molecular weight of Ethyl 4-bromo-2,2-diethyl-3-oxobutanoate?
The molecular weight of Ethyl 4-bromo-2,2-diethyl-3-oxobutanoate is 264.04 g/mol.
Where can I buy Ethyl 4-bromo-2,2-diethyl-3-oxobutanoate?
You can request a quote for Ethyl 4-bromo-2,2-diethyl-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-bromo-2,2-diethyl-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-bromo-2,2-diethyl-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.