p-Acetylphenyl acetate
TL;DR: p-Acetylphenyl acetate (CAS 13031-43-1) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06299 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-acetylphenyl) acetate
Also Known As: 4-Acetylphenyl acetate, 4'-Acetoxyacetophenone, 4-Acetoxyacetophenone, p-Acetylphenyl acetate, p-Acetoxyacetophenone
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H10O3 |
| Molecular Weight | 178.06299 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.06299 Da |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
| SMILES | CC(=O)C1=CC=C(C=C1)OC(=O)C |
| InChIKey | SMIOEQSLJNNKQF-UHFFFAOYSA-N |
Chemical Property Profile of p-Acetylphenyl acetate
Property Insights of p-Acetylphenyl acetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Acetylphenyl acetate. With a topological polar surface area (TPSA) of 43.4 Ų, p-Acetylphenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Acetylphenyl acetate 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
What is the CAS number of p-Acetylphenyl acetate?
The CAS number of p-Acetylphenyl acetate is 13031-43-1.
What is the molecular formula of p-Acetylphenyl acetate?
The molecular formula of p-Acetylphenyl acetate is C10H10O3.
What is the molecular weight of p-Acetylphenyl acetate?
The molecular weight of p-Acetylphenyl acetate is 178.06299 g/mol.
Where can I buy p-Acetylphenyl acetate?
You can request a quote for p-Acetylphenyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for p-Acetylphenyl acetate?
Yes, CoreyChem provides custom synthesis services for p-Acetylphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.