Ethyl 4-methoxy-3,5-dimethylbenzoylformate
TL;DR: Ethyl 4-methoxy-3,5-dimethylbenzoylformate (CAS 107642-57-9) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetate
Also Known As: Ethyl 4-methoxy-3,5-dimethylbenzoylformate, ethyl 2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetate, ethyl 3,5-dimethyl-4-methoxybenzoylformate, Ethyl (4-methoxy-3,5-dimethylphenyl)(oxo)acetate, ethyl2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetate
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.05784 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 425.72784 |
Chemical Identifiers
| CAS Number | 107642-57-9 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=CC(=C(C(=C1)C)OC)C |
Product Overview
Ethyl 4-methoxy-3,5-dimethylbenzoylformate (CAS 107642-57-9), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: ethyl 2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetate.
Chemical Property Profile of Ethyl 4-methoxy-3,5-dimethylbenzoylformate
Property Insights of Ethyl 4-methoxy-3,5-dimethylbenzoylformate
The XLogP value of 2.05784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-methoxy-3,5-dimethylbenzoylformate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 4-methoxy-3,5-dimethylbenzoylformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-methoxy-3,5-dimethylbenzoylformate 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 4-methoxy-3,5-dimethylbenzoylformate?
The CAS number of Ethyl 4-methoxy-3,5-dimethylbenzoylformate is 107642-57-9.
What is the molecular formula of Ethyl 4-methoxy-3,5-dimethylbenzoylformate?
The molecular formula of Ethyl 4-methoxy-3,5-dimethylbenzoylformate is C13H16O4.
What is the molecular weight of Ethyl 4-methoxy-3,5-dimethylbenzoylformate?
The molecular weight of Ethyl 4-methoxy-3,5-dimethylbenzoylformate is 236.10 g/mol.
Where can I buy Ethyl 4-methoxy-3,5-dimethylbenzoylformate?
You can request a quote for Ethyl 4-methoxy-3,5-dimethylbenzoylformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-methoxy-3,5-dimethylbenzoylformate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-methoxy-3,5-dimethylbenzoylformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.