Methyl 3,4-difluoro-alpha-oxobenzeneacetate
TL;DR: Methyl 3,4-difluoro-alpha-oxobenzeneacetate (CAS 220239-71-4) is a chemical compound with molecular formula C9H6F2O3 and molecular weight 200.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3,4-difluorophenyl)-2-oxoacetate
Also Known As: Methyl 3,4-difluorobenzoylformate, methyl 2-(3,4-difluorophenyl)-2-oxoacetate, Methyl 3,4-difluorophenylglyoxalate, Methyl (3,4-difluorophenyl)(oxo)acetate, Methyl 2-(3,4-difluorophenyl)-2-oxo-acetate
| Molecular Formula | C9H6F2O3 |
|---|---|
| Molecular Weight | 200.03 g/mol |
| LogP | 1.3205 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.0285 |
| Heavy Atoms | 14 |
| Complexity | 387.6435 |
Chemical Identifiers
| CAS Number | 220239-71-4 |
|---|---|
| SMILES | COC(=O)C(=O)C1=CC(=C(C=C1)F)F |
Product Overview
Methyl 3,4-difluoro-alpha-oxobenzeneacetate (CAS 220239-71-4), with molecular formula C9H6F2O3 and molecular weight 200.03 g/mol. IUPAC: methyl 2-(3,4-difluorophenyl)-2-oxoacetate.
Chemical Property Profile of Methyl 3,4-difluoro-alpha-oxobenzeneacetate
Property Insights of Methyl 3,4-difluoro-alpha-oxobenzeneacetate
The XLogP value of 1.3205 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,4-difluoro-alpha-oxobenzeneacetate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 3,4-difluoro-alpha-oxobenzeneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,4-difluoro-alpha-oxobenzeneacetate has 0 hydrogen bond donor(s) and 3 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-difluoro-alpha-oxobenzeneacetate?
The CAS number of Methyl 3,4-difluoro-alpha-oxobenzeneacetate is 220239-71-4.
What is the molecular formula of Methyl 3,4-difluoro-alpha-oxobenzeneacetate?
The molecular formula of Methyl 3,4-difluoro-alpha-oxobenzeneacetate is C9H6F2O3.
What is the molecular weight of Methyl 3,4-difluoro-alpha-oxobenzeneacetate?
The molecular weight of Methyl 3,4-difluoro-alpha-oxobenzeneacetate is 200.03 g/mol.
Where can I buy Methyl 3,4-difluoro-alpha-oxobenzeneacetate?
You can request a quote for Methyl 3,4-difluoro-alpha-oxobenzeneacetate 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-difluoro-alpha-oxobenzeneacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,4-difluoro-alpha-oxobenzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.