![[2-Oxo-2-(4-phenylphenyl)ethyl] 2,2-dimethylbutanoate structure](/static/products/7598/7598-46-1.webp)
[2-Oxo-2-(4-phenylphenyl)ethyl] 2,2-dimethylbutanoate
TL;DR: [2-Oxo-2-(4-phenylphenyl)ethyl] 2,2-dimethylbutanoate (CAS 7598-46-1) is a chemical compound with molecular formula C20H22O3 and molecular weight 310.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(4-phenylphenyl)ethyl] 2,2-dimethylbutanoate
Also Known As: [2-oxo-2-(4-phenylphenyl)ethyl] 2,2-dimethylbutanoate|2-([1,1'-Biphenyl]-4-yl)-2-oxoethyl 2,2-dimethylbutanoate
| Molecular Formula | C20H22O3 |
|---|---|
| Molecular Weight | 310.16 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 310.1569 |
| Heavy Atoms | 23 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 7598-46-1 |
|---|---|
| SMILES | CCC(C)(C)C(=O)OCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2 |
| InChIKey | FUKJMXBFLQQRSF-UHFFFAOYSA-N |
Product Overview
[2-Oxo-2-(4-phenylphenyl)ethyl] 2,2-dimethylbutanoate (CAS 7598-46-1), with molecular formula C20H22O3 and molecular weight 310.16 g/mol. IUPAC: [2-oxo-2-(4-phenylphenyl)ethyl] 2,2-dimethylbutanoate.
Chemical Property Profile of [2-Oxo-2-(4-phenylphenyl)ethyl] 2,2-dimethylbutanoate
Property Insights of [2-Oxo-2-(4-phenylphenyl)ethyl] 2,2-dimethylbutanoate
The XLogP value of 4.9 indicates that [2-Oxo-2-(4-phenylphenyl)ethyl] 2,2-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, [2-Oxo-2-(4-phenylphenyl)ethyl] 2,2-dimethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-Oxo-2-(4-phenylphenyl)ethyl] 2,2-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 [2-Oxo-2-(4-phenylphenyl)ethyl] 2,2-dimethylbutanoate?
The CAS number of [2-Oxo-2-(4-phenylphenyl)ethyl] 2,2-dimethylbutanoate is 7598-46-1.
What is the molecular formula of [2-Oxo-2-(4-phenylphenyl)ethyl] 2,2-dimethylbutanoate?
The molecular formula of [2-Oxo-2-(4-phenylphenyl)ethyl] 2,2-dimethylbutanoate is C20H22O3.
What is the molecular weight of [2-Oxo-2-(4-phenylphenyl)ethyl] 2,2-dimethylbutanoate?
The molecular weight of [2-Oxo-2-(4-phenylphenyl)ethyl] 2,2-dimethylbutanoate is 310.16 g/mol.
Where can I buy [2-Oxo-2-(4-phenylphenyl)ethyl] 2,2-dimethylbutanoate?
You can request a quote for [2-Oxo-2-(4-phenylphenyl)ethyl] 2,2-dimethylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-Oxo-2-(4-phenylphenyl)ethyl] 2,2-dimethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for [2-Oxo-2-(4-phenylphenyl)ethyl] 2,2-dimethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.