4,4-二氟-3-氧代丁酸乙酯
TL;DR: 4,4-二氟-3-氧代丁酸乙酯 (CAS 352-24-9) is a chemical compound with molecular formula C6H8F2O3 and molecular weight 166.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-二氟-3-氧代丁酸乙酯
ethyl 4,4-difluoro-3-oxobutanoate
Also Known As: Ethyl 4,4-difluoroacetoacetate, ethyl 4,4-difluoro-3-oxobutanoate, Ethyl 4,4-difluoro-3-oxobutyrate, Ethyl difluoroacetoacetate, Butanoic acid, 4,4-difluoro-3-oxo-, ethyl ester
| Molecular Formula | C6H8F2O3 |
|---|---|
| Molecular Weight | 166.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 166.04414 |
| Heavy Atoms | 11 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 352-24-9 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C(F)F |
| InChIKey | CBDPWKVOPADMJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4-二氟-3-氧代丁酸乙酯 (CAS 352-24-9), with molecular formula C6H8F2O3 and molecular weight 166.04 g/mol. IUPAC: ethyl 4,4-difluoro-3-oxobutanoate.
Chemical Property Profile of 4,4-二氟-3-氧代丁酸乙酯
Property Insights of 4,4-二氟-3-氧代丁酸乙酯
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-二氟-3-氧代丁酸乙酯. With a topological polar surface area (TPSA) of 43.4 Ų, 4,4-二氟-3-氧代丁酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-二氟-3-氧代丁酸乙酯 has 0 hydrogen bond donor(s) and 5 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 4,4-二氟-3-氧代丁酸乙酯?
The CAS number of 4,4-二氟-3-氧代丁酸乙酯 is 352-24-9.
What is the molecular formula of 4,4-二氟-3-氧代丁酸乙酯?
The molecular formula of 4,4-二氟-3-氧代丁酸乙酯 is C6H8F2O3.
What is the molecular weight of 4,4-二氟-3-氧代丁酸乙酯?
The molecular weight of 4,4-二氟-3-氧代丁酸乙酯 is 166.04 g/mol.
Where can I buy 4,4-二氟-3-氧代丁酸乙酯?
You can request a quote for 4,4-二氟-3-氧代丁酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-二氟-3-氧代丁酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 4,4-二氟-3-氧代丁酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.