Methyl 4-acetylbenzoate
TL;DR: Methyl 4-acetylbenzoate (CAS 3609-53-8) 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 4-acetylbenzoate
Also Known As: Methyl 4-acetylbenzoate, methyl p-acetylbenzoate, Benzoic acid, 4-acetyl-, methyl ester, methyl4-acetylbenzoate, 4-ACETYLBENZOIC ACID METHYL ESTER
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.9 |
| 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 | 202.0 |
Chemical Identifiers
| CAS Number | 3609-53-8 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)C(=O)OC |
| InChIKey | QNTSFZXGLAHYLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-acetylbenzoate (CAS 3609-53-8), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: methyl 4-acetylbenzoate.
Chemical Property Profile of Methyl 4-acetylbenzoate
Property Insights of Methyl 4-acetylbenzoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-acetylbenzoate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 4-acetylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-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 4-acetylbenzoate?
The CAS number of Methyl 4-acetylbenzoate is 3609-53-8.
What is the molecular formula of Methyl 4-acetylbenzoate?
The molecular formula of Methyl 4-acetylbenzoate is C10H10O3.
What is the molecular weight of Methyl 4-acetylbenzoate?
The molecular weight of Methyl 4-acetylbenzoate is 178.06 g/mol.
Where can I buy Methyl 4-acetylbenzoate?
You can request a quote for Methyl 4-acetylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-acetylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-acetylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.