m-Acetylphenyl acetate
TL;DR: m-Acetylphenyl acetate (CAS 2454-35-5) 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.
(3-acetylphenyl) acetate
Also Known As: 3-acetylphenyl acetate, 3'-Acetoxyacetophenone, m-Acetylphenyl acetate, (3-acetylphenyl) acetate, 3-Acetoxyacetophenone
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.2 |
| 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 | 2454-35-5 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)OC(=O)C |
| InChIKey | OTHYPAMNTUGKDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
m-Acetylphenyl acetate (CAS 2454-35-5), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: (3-acetylphenyl) acetate.
Chemical Property Profile of m-Acetylphenyl acetate
Property Insights of m-Acetylphenyl acetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Acetylphenyl acetate. With a topological polar surface area (TPSA) of 43.4 Ų, m-Acetylphenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-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 m-Acetylphenyl acetate?
The CAS number of m-Acetylphenyl acetate is 2454-35-5.
What is the molecular formula of m-Acetylphenyl acetate?
The molecular formula of m-Acetylphenyl acetate is C10H10O3.
What is the molecular weight of m-Acetylphenyl acetate?
The molecular weight of m-Acetylphenyl acetate is 178.06 g/mol.
Where can I buy m-Acetylphenyl acetate?
You can request a quote for m-Acetylphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Acetylphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for m-Acetylphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.