Methyl 2,2-difluoro-3-oxopentanoate
TL;DR: Methyl 2,2-difluoro-3-oxopentanoate (CAS 196202-01-4) 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.
methyl 2,2-difluoro-3-oxopentanoate
Also Known As: methyl 2,2-difluoro-3-oxopentanoate, N-PHENYLMALEAMICACID, Methyl2,2-difluoro-3-oxopentanoate, Methyl 2-propionyldifluoroacetate, Pentanoic acid,2,2-difluoro-3-oxo-, methyl ester
| Molecular Formula | C6H8F2O3 |
|---|---|
| Molecular Weight | 166.04 g/mol |
| LogP | 0.7738 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.04414 |
| Heavy Atoms | 11 |
| Complexity | 158.66621 |
Chemical Identifiers
| CAS Number | 196202-01-4 |
|---|---|
| SMILES | CCC(=O)C(C(=O)OC)(F)F |
Product Overview
Methyl 2,2-difluoro-3-oxopentanoate (CAS 196202-01-4), with molecular formula C6H8F2O3 and molecular weight 166.04 g/mol. IUPAC: methyl 2,2-difluoro-3-oxopentanoate.
Chemical Property Profile of Methyl 2,2-difluoro-3-oxopentanoate
Property Insights of Methyl 2,2-difluoro-3-oxopentanoate
The XLogP value of 0.7738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,2-difluoro-3-oxopentanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 2,2-difluoro-3-oxopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,2-difluoro-3-oxopentanoate 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 2,2-difluoro-3-oxopentanoate?
The CAS number of Methyl 2,2-difluoro-3-oxopentanoate is 196202-01-4.
What is the molecular formula of Methyl 2,2-difluoro-3-oxopentanoate?
The molecular formula of Methyl 2,2-difluoro-3-oxopentanoate is C6H8F2O3.
What is the molecular weight of Methyl 2,2-difluoro-3-oxopentanoate?
The molecular weight of Methyl 2,2-difluoro-3-oxopentanoate is 166.04 g/mol.
Where can I buy Methyl 2,2-difluoro-3-oxopentanoate?
You can request a quote for Methyl 2,2-difluoro-3-oxopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,2-difluoro-3-oxopentanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,2-difluoro-3-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.