1-Oxo-1-phenylpropan-2-yl benzoate
TL;DR: 1-Oxo-1-phenylpropan-2-yl benzoate (CAS 1030-23-5) is a chemical compound with molecular formula C16H14O3 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-oxo-1-phenylpropan-2-yl) benzoate
Also Known As: 1-Oxo-1-phenylpropan-2-yl benzoate, alpha-(Benzoyloxy)propiophenone, Benzoic acid 1-benzoylethyl ester, (1-oxo-1-phenylpropan-2-yl) benzoate, 1-methyl-2-oxo-2-phenylethyl benzoate
| Molecular Formula | C16H14O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.0943 |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 1030-23-5 |
|---|---|
| SMILES | CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2 |
| InChIKey | NHOXPYKWAHZEHD-UHFFFAOYSA-N |
Product Overview
1-Oxo-1-phenylpropan-2-yl benzoate (CAS 1030-23-5), with molecular formula C16H14O3 and molecular weight 254.09 g/mol. IUPAC: (1-oxo-1-phenylpropan-2-yl) benzoate.
Chemical Property Profile of 1-Oxo-1-phenylpropan-2-yl benzoate
Property Insights of 1-Oxo-1-phenylpropan-2-yl benzoate
The XLogP value of 3.6 indicates that 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, 1-Oxo-1-phenylpropan-2-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 1-Oxo-1-phenylpropan-2-yl benzoate?
The CAS number of 1-Oxo-1-phenylpropan-2-yl benzoate is 1030-23-5.
What is the molecular formula of 1-Oxo-1-phenylpropan-2-yl benzoate?
The molecular formula of 1-Oxo-1-phenylpropan-2-yl benzoate is C16H14O3.
What is the molecular weight of 1-Oxo-1-phenylpropan-2-yl benzoate?
The molecular weight of 1-Oxo-1-phenylpropan-2-yl benzoate is 254.09 g/mol.
Where can I buy 1-Oxo-1-phenylpropan-2-yl benzoate?
You can request a quote for 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 1-Oxo-1-phenylpropan-2-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxo-1-phenylpropan-2-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.