2-Methyl-1-oxo-1-phenylpropan-2-yl benzoate
TL;DR: 2-Methyl-1-oxo-1-phenylpropan-2-yl benzoate (CAS 7469-79-6) is a chemical compound with molecular formula C17H16O3 and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-1-oxo-1-phenylpropan-2-yl) benzoate
Also Known As: 2-Methyl-1-oxo-1-phenylpropan-2-yl benzoate, (2-methyl-1-oxo-1-phenylpropan-2-yl) benzoate
| Molecular Formula | C17H16O3 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.10995 |
| Heavy Atoms | 20 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 7469-79-6 |
|---|---|
| SMILES | CC(C)(C(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2 |
| InChIKey | JLLUVBDBLCCITQ-UHFFFAOYSA-N |
Product Overview
2-Methyl-1-oxo-1-phenylpropan-2-yl benzoate (CAS 7469-79-6), with molecular formula C17H16O3 and molecular weight 268.11 g/mol. IUPAC: (2-methyl-1-oxo-1-phenylpropan-2-yl) benzoate.
Chemical Property Profile of 2-Methyl-1-oxo-1-phenylpropan-2-yl benzoate
Property Insights of 2-Methyl-1-oxo-1-phenylpropan-2-yl benzoate
The XLogP value of 3.8 indicates that 2-Methyl-1-oxo-1-phenylpropan-2-yl benzoate 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-Methyl-1-oxo-1-phenylpropan-2-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1-oxo-1-phenylpropan-2-yl benzoate 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-Methyl-1-oxo-1-phenylpropan-2-yl benzoate?
The CAS number of 2-Methyl-1-oxo-1-phenylpropan-2-yl benzoate is 7469-79-6.
What is the molecular formula of 2-Methyl-1-oxo-1-phenylpropan-2-yl benzoate?
The molecular formula of 2-Methyl-1-oxo-1-phenylpropan-2-yl benzoate is C17H16O3.
What is the molecular weight of 2-Methyl-1-oxo-1-phenylpropan-2-yl benzoate?
The molecular weight of 2-Methyl-1-oxo-1-phenylpropan-2-yl benzoate is 268.11 g/mol.
Where can I buy 2-Methyl-1-oxo-1-phenylpropan-2-yl benzoate?
You can request a quote for 2-Methyl-1-oxo-1-phenylpropan-2-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1-oxo-1-phenylpropan-2-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1-oxo-1-phenylpropan-2-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.