Ethyl 2,2-difluoro-3-oxoheptanoate
TL;DR: Ethyl 2,2-difluoro-3-oxoheptanoate (CAS 321942-93-2) is a chemical compound with molecular formula C9H14F2O3 and molecular weight 208.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-difluoro-3-oxoheptanoate
Also Known As: ethyl 2,2-difluoro-3-oxoheptanoate, Ethyl 2,2-difluoro-3-oxo-heptanoate
| Molecular Formula | C9H14F2O3 |
|---|---|
| Molecular Weight | 208.09 g/mol |
| LogP | 1.9441 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.0911 |
| Heavy Atoms | 14 |
| Complexity | 214.1026 |
Chemical Identifiers
| CAS Number | 321942-93-2 |
|---|---|
| SMILES | CCCCC(=O)C(C(=O)OCC)(F)F |
Product Overview
Ethyl 2,2-difluoro-3-oxoheptanoate (CAS 321942-93-2), with molecular formula C9H14F2O3 and molecular weight 208.09 g/mol. IUPAC: ethyl 2,2-difluoro-3-oxoheptanoate.
Chemical Property Profile of Ethyl 2,2-difluoro-3-oxoheptanoate
Property Insights of Ethyl 2,2-difluoro-3-oxoheptanoate
The XLogP value of 1.9441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,2-difluoro-3-oxoheptanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 2,2-difluoro-3-oxoheptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,2-difluoro-3-oxoheptanoate 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 2,2-difluoro-3-oxoheptanoate?
The CAS number of Ethyl 2,2-difluoro-3-oxoheptanoate is 321942-93-2.
What is the molecular formula of Ethyl 2,2-difluoro-3-oxoheptanoate?
The molecular formula of Ethyl 2,2-difluoro-3-oxoheptanoate is C9H14F2O3.
What is the molecular weight of Ethyl 2,2-difluoro-3-oxoheptanoate?
The molecular weight of Ethyl 2,2-difluoro-3-oxoheptanoate is 208.09 g/mol.
Where can I buy Ethyl 2,2-difluoro-3-oxoheptanoate?
You can request a quote for Ethyl 2,2-difluoro-3-oxoheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,2-difluoro-3-oxoheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,2-difluoro-3-oxoheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.