Methyl 3-(4-methoxyphenyl)-2-oxopropanoate
TL;DR: Methyl 3-(4-methoxyphenyl)-2-oxopropanoate (CAS 69882-69-5) 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 3-(4-methoxyphenyl)-2-oxopropanoate
Also Known As: methyl 3-(4-methoxyphenyl)-2-oxopropanoate, Methyl 4-methoxybenzoylacetate, Methyl 4-methoxybenzoyl acetate,, methyl 3-(4-methoxyphenyl)pyruvate, methyl-3-(4-methoxyphenyl)-2-oxopropanoat
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 69882-69-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC(=O)C(=O)OC |
| InChIKey | YFKAHHRRSJDIOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(4-methoxyphenyl)-2-oxopropanoate (CAS 69882-69-5), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: methyl 3-(4-methoxyphenyl)-2-oxopropanoate.
Chemical Property Profile of Methyl 3-(4-methoxyphenyl)-2-oxopropanoate
Property Insights of Methyl 3-(4-methoxyphenyl)-2-oxopropanoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-methoxyphenyl)-2-oxopropanoate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 3-(4-methoxyphenyl)-2-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(4-methoxyphenyl)-2-oxopropanoate 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 3-(4-methoxyphenyl)-2-oxopropanoate?
The CAS number of Methyl 3-(4-methoxyphenyl)-2-oxopropanoate is 69882-69-5.
What is the molecular formula of Methyl 3-(4-methoxyphenyl)-2-oxopropanoate?
The molecular formula of Methyl 3-(4-methoxyphenyl)-2-oxopropanoate is C11H12O4.
What is the molecular weight of Methyl 3-(4-methoxyphenyl)-2-oxopropanoate?
The molecular weight of Methyl 3-(4-methoxyphenyl)-2-oxopropanoate is 208.07 g/mol.
Where can I buy Methyl 3-(4-methoxyphenyl)-2-oxopropanoate?
You can request a quote for Methyl 3-(4-methoxyphenyl)-2-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-methoxyphenyl)-2-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-methoxyphenyl)-2-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.