4-Propionylphenyl benzoate
TL;DR: 4-Propionylphenyl benzoate (CAS 96187-97-2) 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.
(4-propanoylphenyl) benzoate
Also Known As: 4-propionylphenyl benzoate, 4-propanoylphenyl benzoate, p-(benzoyloxy)propiophenone, (4-propanoylphenyl) benzoate
| Molecular Formula | C16H14O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 3.7 |
| 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 | 310.0 |
Chemical Identifiers
| CAS Number | 96187-97-2 |
|---|---|
| SMILES | CCC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2 |
| InChIKey | VVHSRGDHFAASPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Propionylphenyl benzoate (CAS 96187-97-2), with molecular formula C16H14O3 and molecular weight 254.09 g/mol. IUPAC: (4-propanoylphenyl) benzoate.
Chemical Property Profile of 4-Propionylphenyl benzoate
Property Insights of 4-Propionylphenyl benzoate
The XLogP value of 3.7 indicates that 4-Propionylphenyl 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, 4-Propionylphenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Propionylphenyl 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 4-Propionylphenyl benzoate?
The CAS number of 4-Propionylphenyl benzoate is 96187-97-2.
What is the molecular formula of 4-Propionylphenyl benzoate?
The molecular formula of 4-Propionylphenyl benzoate is C16H14O3.
What is the molecular weight of 4-Propionylphenyl benzoate?
The molecular weight of 4-Propionylphenyl benzoate is 254.09 g/mol.
Where can I buy 4-Propionylphenyl benzoate?
You can request a quote for 4-Propionylphenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Propionylphenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Propionylphenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.