Ethyl (2-methoxybenzoyl)acetate
TL;DR: Ethyl (2-methoxybenzoyl)acetate (CAS 41607-95-8) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2-methoxyphenyl)-3-oxopropanoate
Also Known As: Ethyl (2-methoxybenzoyl)acetate, Ethyl (2-methyoxybenzoyl)acetate, ethyl 3-(2-methoxyphenyl)-3-oxopropanoate, ethyl O-methoxybenzoylacetate, Ethyl(2-methyoxybenzoyl)acetate
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.8311 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 384.36008 |
Chemical Identifiers
| CAS Number | 41607-95-8 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=CC=CC=C1OC |
Product Overview
Ethyl (2-methoxybenzoyl)acetate (CAS 41607-95-8), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: ethyl 3-(2-methoxyphenyl)-3-oxopropanoate.
Chemical Property Profile of Ethyl (2-methoxybenzoyl)acetate
Property Insights of Ethyl (2-methoxybenzoyl)acetate
The XLogP value of 1.8311 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2-methoxybenzoyl)acetate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl (2-methoxybenzoyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (2-methoxybenzoyl)acetate 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 Ethyl (2-methoxybenzoyl)acetate?
The CAS number of Ethyl (2-methoxybenzoyl)acetate is 41607-95-8.
What is the molecular formula of Ethyl (2-methoxybenzoyl)acetate?
The molecular formula of Ethyl (2-methoxybenzoyl)acetate is C12H14O4.
What is the molecular weight of Ethyl (2-methoxybenzoyl)acetate?
The molecular weight of Ethyl (2-methoxybenzoyl)acetate is 222.09 g/mol.
Where can I buy Ethyl (2-methoxybenzoyl)acetate?
You can request a quote for Ethyl (2-methoxybenzoyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2-methoxybenzoyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2-methoxybenzoyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.