Methyl 2-acetylbenzoate
TL;DR: Methyl 2-acetylbenzoate (CAS 1077-79-8) 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.
methyl 2-acetylbenzoate
Also Known As: methyl 2-acetylbenzoate, methyl2-acetylbenzoate, ortho-acetoxyacetophenone, 2-acetyl-benzoic acid methyl ester, 2-Acetylbenzoic acid methyl ester
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.1 |
| 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 | 1077-79-8 |
|---|---|
| SMILES | CC(=O)C1=CC=CC=C1C(=O)OC |
| InChIKey | UFOAYTOVTNNRKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-acetylbenzoate (CAS 1077-79-8), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: methyl 2-acetylbenzoate.
Chemical Property Profile of Methyl 2-acetylbenzoate
Property Insights of Methyl 2-acetylbenzoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-acetylbenzoate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 2-acetylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-acetylbenzoate 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 Methyl 2-acetylbenzoate?
The CAS number of Methyl 2-acetylbenzoate is 1077-79-8.
What is the molecular formula of Methyl 2-acetylbenzoate?
The molecular formula of Methyl 2-acetylbenzoate is C10H10O3.
What is the molecular weight of Methyl 2-acetylbenzoate?
The molecular weight of Methyl 2-acetylbenzoate is 178.06 g/mol.
Where can I buy Methyl 2-acetylbenzoate?
You can request a quote for Methyl 2-acetylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-acetylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-acetylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.