Ethyl 3,5-difluorobenzoylformate
TL;DR: Ethyl 3,5-difluorobenzoylformate (CAS 208259-57-8) is a chemical compound with molecular formula C10H8F2O3 and molecular weight 214.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3,5-difluorophenyl)-2-oxoacetate
Also Known As: Ethyl 3,5-difluorobenzoylformate, ethyl 2-(3,5-difluorophenyl)-2-oxoacetate, ethyl-3,5-difluorobenzoylformate, ethyl 3,5-difluoro benzoylformate, Ethyl 3,5-difluorophenylglyoxylate
| Molecular Formula | C10H8F2O3 |
|---|---|
| Molecular Weight | 214.04 g/mol |
| LogP | 1.7106 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.04414 |
| Heavy Atoms | 15 |
| Complexity | 381.40402 |
Chemical Identifiers
| CAS Number | 208259-57-8 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=CC(=CC(=C1)F)F |
Product Overview
Ethyl 3,5-difluorobenzoylformate (CAS 208259-57-8), with molecular formula C10H8F2O3 and molecular weight 214.04 g/mol. IUPAC: ethyl 2-(3,5-difluorophenyl)-2-oxoacetate.
Chemical Property Profile of Ethyl 3,5-difluorobenzoylformate
Property Insights of Ethyl 3,5-difluorobenzoylformate
The XLogP value of 1.7106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,5-difluorobenzoylformate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 3,5-difluorobenzoylformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,5-difluorobenzoylformate 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 Ethyl 3,5-difluorobenzoylformate?
The CAS number of Ethyl 3,5-difluorobenzoylformate is 208259-57-8.
What is the molecular formula of Ethyl 3,5-difluorobenzoylformate?
The molecular formula of Ethyl 3,5-difluorobenzoylformate is C10H8F2O3.
What is the molecular weight of Ethyl 3,5-difluorobenzoylformate?
The molecular weight of Ethyl 3,5-difluorobenzoylformate is 214.04 g/mol.
Where can I buy Ethyl 3,5-difluorobenzoylformate?
You can request a quote for Ethyl 3,5-difluorobenzoylformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,5-difluorobenzoylformate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,5-difluorobenzoylformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.