Ethyl 2,2-dimethyl-3-oxo-3-phenylpropanoate
TL;DR: Ethyl 2,2-dimethyl-3-oxo-3-phenylpropanoate (CAS 30812-87-4) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-dimethyl-3-oxo-3-phenylpropanoate
Also Known As: ethyl 2,2-dimethyl-3-oxo-3-phenylpropanoate, Ethyl 2-benzoyl-2-Methylpropionate, ethyl 2,2-dimethylbenzoylacetate, A-dimethyl-benzoylessigsaeureethylester, ethyl2,2-dimethyl-3-oxo-3-phenylpropanoate
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 30812-87-4 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)C(=O)C1=CC=CC=C1 |
| InChIKey | BNIXMGBGYGZYND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2,2-dimethyl-3-oxo-3-phenylpropanoate (CAS 30812-87-4), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: ethyl 2,2-dimethyl-3-oxo-3-phenylpropanoate.
Chemical Property Profile of Ethyl 2,2-dimethyl-3-oxo-3-phenylpropanoate
Property Insights of Ethyl 2,2-dimethyl-3-oxo-3-phenylpropanoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,2-dimethyl-3-oxo-3-phenylpropanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2,2-dimethyl-3-oxo-3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,2-dimethyl-3-oxo-3-phenylpropanoate 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 2,2-dimethyl-3-oxo-3-phenylpropanoate?
The CAS number of Ethyl 2,2-dimethyl-3-oxo-3-phenylpropanoate is 30812-87-4.
What is the molecular formula of Ethyl 2,2-dimethyl-3-oxo-3-phenylpropanoate?
The molecular formula of Ethyl 2,2-dimethyl-3-oxo-3-phenylpropanoate is C13H16O3.
What is the molecular weight of Ethyl 2,2-dimethyl-3-oxo-3-phenylpropanoate?
The molecular weight of Ethyl 2,2-dimethyl-3-oxo-3-phenylpropanoate is 220.11 g/mol.
Where can I buy Ethyl 2,2-dimethyl-3-oxo-3-phenylpropanoate?
You can request a quote for Ethyl 2,2-dimethyl-3-oxo-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,2-dimethyl-3-oxo-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,2-dimethyl-3-oxo-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.