Ethyl 2-benzoyl-3,3-dimethylbutanoate
TL;DR: Ethyl 2-benzoyl-3,3-dimethylbutanoate (CAS 75574-69-5) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzoyl-3,3-dimethylbutanoate
Also Known As: ethyl 2-benzoyl-3,3-dimethylbutanoate, 2-Benzoyl-3,3-dimethylbutyric acid ethyl ester, 2-benzoyl-3,3-dimethyl-butyric acid ethyl ester
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 75574-69-5 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C1=CC=CC=C1)C(C)(C)C |
| InChIKey | QPMKTOLBLRBPPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-benzoyl-3,3-dimethylbutanoate (CAS 75574-69-5), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: ethyl 2-benzoyl-3,3-dimethylbutanoate.
Chemical Property Profile of Ethyl 2-benzoyl-3,3-dimethylbutanoate
Property Insights of Ethyl 2-benzoyl-3,3-dimethylbutanoate
The XLogP value of 3.8 indicates that Ethyl 2-benzoyl-3,3-dimethylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-benzoyl-3,3-dimethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-benzoyl-3,3-dimethylbutanoate 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 2-benzoyl-3,3-dimethylbutanoate?
The CAS number of Ethyl 2-benzoyl-3,3-dimethylbutanoate is 75574-69-5.
What is the molecular formula of Ethyl 2-benzoyl-3,3-dimethylbutanoate?
The molecular formula of Ethyl 2-benzoyl-3,3-dimethylbutanoate is C15H20O3.
What is the molecular weight of Ethyl 2-benzoyl-3,3-dimethylbutanoate?
The molecular weight of Ethyl 2-benzoyl-3,3-dimethylbutanoate is 248.14 g/mol.
Where can I buy Ethyl 2-benzoyl-3,3-dimethylbutanoate?
You can request a quote for Ethyl 2-benzoyl-3,3-dimethylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-benzoyl-3,3-dimethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-benzoyl-3,3-dimethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.