Methyl 5-acetyl-2-methoxybenzoate
TL;DR: Methyl 5-acetyl-2-methoxybenzoate (CAS 39971-36-3) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-acetyl-2-methoxybenzoate
Also Known As: Methyl 5-acetyl-2-methoxybenzoate, KPDRDAXDDZAPHS-UHFFFAOYSA-, methyl5-acetyl-2-methoxybenzoate, EINECS 254-721-2, KPDRDAXDDZAPHS-UHFFFAOYSA
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 39971-36-3 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)C(=O)OC |
| InChIKey | KPDRDAXDDZAPHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 5-acetyl-2-methoxybenzoate (CAS 39971-36-3), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: methyl 5-acetyl-2-methoxybenzoate.
Chemical Property Profile of Methyl 5-acetyl-2-methoxybenzoate
Property Insights of Methyl 5-acetyl-2-methoxybenzoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-acetyl-2-methoxybenzoate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 5-acetyl-2-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-acetyl-2-methoxybenzoate has 0 hydrogen bond donor(s) and 4 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 5-acetyl-2-methoxybenzoate?
The CAS number of Methyl 5-acetyl-2-methoxybenzoate is 39971-36-3.
What is the molecular formula of Methyl 5-acetyl-2-methoxybenzoate?
The molecular formula of Methyl 5-acetyl-2-methoxybenzoate is C11H12O4.
What is the molecular weight of Methyl 5-acetyl-2-methoxybenzoate?
The molecular weight of Methyl 5-acetyl-2-methoxybenzoate is 208.07 g/mol.
Where can I buy Methyl 5-acetyl-2-methoxybenzoate?
You can request a quote for Methyl 5-acetyl-2-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-acetyl-2-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-acetyl-2-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.