Methyl 4-methoxy-beta-oxobenzenepropanoate
TL;DR: Methyl 4-methoxy-beta-oxobenzenepropanoate (CAS 22077-50-5) 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)-3-oxopropanoate
Also Known As: Methyl 4-methoxybenzoylacetate, methyl 3-(4-methoxyphenyl)-3-oxopropanoate, Methyl 3-(4-methoxyphenyl)-3-oxopropionate, Methyl 3-(4-methoxyphenyl)-3-oxo-propionate, Methyl4-methoxybenzoylacetate
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.441 |
| 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 | 353.3556 |
Chemical Identifiers
| CAS Number | 22077-50-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CC(=O)OC |
Product Overview
Methyl 4-methoxy-beta-oxobenzenepropanoate (CAS 22077-50-5), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: methyl 3-(4-methoxyphenyl)-3-oxopropanoate.
Chemical Property Profile of Methyl 4-methoxy-beta-oxobenzenepropanoate
Property Insights of Methyl 4-methoxy-beta-oxobenzenepropanoate
The XLogP value of 1.441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-methoxy-beta-oxobenzenepropanoate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 4-methoxy-beta-oxobenzenepropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-methoxy-beta-oxobenzenepropanoate 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 4-methoxy-beta-oxobenzenepropanoate?
The CAS number of Methyl 4-methoxy-beta-oxobenzenepropanoate is 22077-50-5.
What is the molecular formula of Methyl 4-methoxy-beta-oxobenzenepropanoate?
The molecular formula of Methyl 4-methoxy-beta-oxobenzenepropanoate is C11H12O4.
What is the molecular weight of Methyl 4-methoxy-beta-oxobenzenepropanoate?
The molecular weight of Methyl 4-methoxy-beta-oxobenzenepropanoate is 208.07 g/mol.
Where can I buy Methyl 4-methoxy-beta-oxobenzenepropanoate?
You can request a quote for Methyl 4-methoxy-beta-oxobenzenepropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-methoxy-beta-oxobenzenepropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-methoxy-beta-oxobenzenepropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.