Ethyl 3-methoxybenzoylformate
TL;DR: Ethyl 3-methoxybenzoylformate (CAS 86358-29-4) 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.
ethyl 2-(3-methoxyphenyl)-2-oxoacetate
Also Known As: Ethyl 3-methoxybenzoylformate, ethyl 2-(3-methoxyphenyl)-2-oxoacetate, Ethyl (3-methoxyphenyl)(oxo)acetate, 3-Methoxy-oxo-benzeneacetic acid ethyl ester, Ethyl(3-methoxyphenyl)(oxo)acetate
| 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 | 370.6056 |
Chemical Identifiers
| CAS Number | 86358-29-4 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=CC(=CC=C1)OC |
Product Overview
Ethyl 3-methoxybenzoylformate (CAS 86358-29-4), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: ethyl 2-(3-methoxyphenyl)-2-oxoacetate.
Chemical Property Profile of Ethyl 3-methoxybenzoylformate
Property Insights of Ethyl 3-methoxybenzoylformate
The XLogP value of 1.441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-methoxybenzoylformate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 3-methoxybenzoylformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-methoxybenzoylformate 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 3-methoxybenzoylformate?
The CAS number of Ethyl 3-methoxybenzoylformate is 86358-29-4.
What is the molecular formula of Ethyl 3-methoxybenzoylformate?
The molecular formula of Ethyl 3-methoxybenzoylformate is C11H12O4.
What is the molecular weight of Ethyl 3-methoxybenzoylformate?
The molecular weight of Ethyl 3-methoxybenzoylformate is 208.07 g/mol.
Where can I buy Ethyl 3-methoxybenzoylformate?
You can request a quote for Ethyl 3-methoxybenzoylformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-methoxybenzoylformate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-methoxybenzoylformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.