2-Acetylphenyl acetate
TL;DR: 2-Acetylphenyl acetate (CAS 7250-94-4) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetylphenyl) acetate
Also Known As: 2-Acetylphenyl acetate, 2'-Acetoxyacetophenone, 2-Acetoxyacetophenone, (2-acetylphenyl) acetate, Phenacyl acetate
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 7250-94-4 |
|---|---|
| SMILES | CC(=O)C1=CC=CC=C1OC(=O)C |
| InChIKey | WWEDAIJJBDFOOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Acetylphenyl acetate (CAS 7250-94-4), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: (2-acetylphenyl) acetate.
Chemical Property Profile of 2-Acetylphenyl acetate
Property Insights of 2-Acetylphenyl acetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetylphenyl acetate. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Acetylphenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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
Frequently Asked Questions
What is the CAS number of 2-Acetylphenyl acetate?
The CAS number of 2-Acetylphenyl acetate is 7250-94-4.
What is the molecular formula of 2-Acetylphenyl acetate?
The molecular formula of 2-Acetylphenyl acetate is C10H10O3.
What is the molecular weight of 2-Acetylphenyl acetate?
The molecular weight of 2-Acetylphenyl acetate is 178.06 g/mol.
Where can I buy 2-Acetylphenyl acetate?
You can request a quote for 2-Acetylphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetylphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetylphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.