2-Oxo-2-phenylethyl 4-tert-butylbenzoate
TL;DR: 2-Oxo-2-phenylethyl 4-tert-butylbenzoate (CAS 63370-06-9) is a chemical compound with molecular formula C19H20O3 and molecular weight 296.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 4-tert-butylbenzoate
Also Known As: phenacyl 4-tert-butylbenzoate, 2-oxo-2-phenylethyl 4-tert-butylbenzoate, 2-oxo-2-phenylethyl 4-(tert-butyl)benzoate, BAS 00722642, Benzoic acid, 4-(1,1-dimethylethyl)-, 2-oxo-2-phenylethyl ester
| Molecular Formula | C19H20O3 |
|---|---|
| Molecular Weight | 296.14 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 296.14124 |
| Heavy Atoms | 22 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 63370-06-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CC=C2 |
| InChIKey | NIXSOSYCLZNKAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Oxo-2-phenylethyl 4-tert-butylbenzoate (CAS 63370-06-9), with molecular formula C19H20O3 and molecular weight 296.14 g/mol. IUPAC: phenacyl 4-tert-butylbenzoate.
Chemical Property Profile of 2-Oxo-2-phenylethyl 4-tert-butylbenzoate
Property Insights of 2-Oxo-2-phenylethyl 4-tert-butylbenzoate
The XLogP value of 4.9 indicates that 2-Oxo-2-phenylethyl 4-tert-butylbenzoate 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-phenylethyl 4-tert-butylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxo-2-phenylethyl 4-tert-butylbenzoate 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-phenylethyl 4-tert-butylbenzoate?
The CAS number of 2-Oxo-2-phenylethyl 4-tert-butylbenzoate is 63370-06-9.
What is the molecular formula of 2-Oxo-2-phenylethyl 4-tert-butylbenzoate?
The molecular formula of 2-Oxo-2-phenylethyl 4-tert-butylbenzoate is C19H20O3.
What is the molecular weight of 2-Oxo-2-phenylethyl 4-tert-butylbenzoate?
The molecular weight of 2-Oxo-2-phenylethyl 4-tert-butylbenzoate is 296.14 g/mol.
Where can I buy 2-Oxo-2-phenylethyl 4-tert-butylbenzoate?
You can request a quote for 2-Oxo-2-phenylethyl 4-tert-butylbenzoate 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-phenylethyl 4-tert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-phenylethyl 4-tert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.