Ethyl (+-)-2',4'-difluoro-alpha-methyl-gamma-oxo-(1,1'-biphenyl)-4-butanoate
TL;DR: Ethyl (+-)-2',4'-difluoro-alpha-methyl-gamma-oxo-(1,1'-biphenyl)-4-butanoate (CAS 139747-48-1) is a chemical compound with molecular formula C19H18F2O3 and molecular weight 332.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate
Also Known As: Ethyl (+-)-2',4'-difluoro-alpha-methyl-gamma-oxo-(1,1'-biphenyl)-4-butanoate, ethyl 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate, (1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, ethyl ester, (+-)-, Ethyl 4-(2',4'-difluoro[1,1'-biphenyl]-4-yl)-2-methyl-4-oxobutanoate, ETHYL 4-[4-(2,4-DIFLUOROPHENYL)PHENYL]-2-METHYL-4-OXO-BUTANOATE
| Molecular Formula | C19H18F2O3 |
|---|---|
| Molecular Weight | 332.12 g/mol |
| LogP | 4.4038 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.1224 |
| Heavy Atoms | 24 |
| Complexity | 738.77716 |
Chemical Identifiers
| CAS Number | 139747-48-1 |
|---|---|
| SMILES | CCOC(=O)C(C)CC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)F)F |
Product Overview
Ethyl (+-)-2',4'-difluoro-alpha-methyl-gamma-oxo-(1,1'-biphenyl)-4-butanoate (CAS 139747-48-1), with molecular formula C19H18F2O3 and molecular weight 332.12 g/mol. IUPAC: ethyl 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate.
Chemical Property Profile of Ethyl (+-)-2',4'-difluoro-alpha-methyl-gamma-oxo-(1,1'-biphenyl)-4-butanoate
Property Insights of Ethyl (+-)-2',4'-difluoro-alpha-methyl-gamma-oxo-(1,1'-biphenyl)-4-butanoate
The XLogP value of 4.4038 indicates that Ethyl (+-)-2',4'-difluoro-alpha-methyl-gamma-oxo-(1,1'-biphenyl)-4-butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl (+-)-2',4'-difluoro-alpha-methyl-gamma-oxo-(1,1'-biphenyl)-4-butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (+-)-2',4'-difluoro-alpha-methyl-gamma-oxo-(1,1'-biphenyl)-4-butanoate 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',4'-difluoro-alpha-methyl-gamma-oxo-(1,1'-biphenyl)-4-butanoate?
The CAS number of Ethyl (+-)-2',4'-difluoro-alpha-methyl-gamma-oxo-(1,1'-biphenyl)-4-butanoate is 139747-48-1.
What is the molecular formula of Ethyl (+-)-2',4'-difluoro-alpha-methyl-gamma-oxo-(1,1'-biphenyl)-4-butanoate?
The molecular formula of Ethyl (+-)-2',4'-difluoro-alpha-methyl-gamma-oxo-(1,1'-biphenyl)-4-butanoate is C19H18F2O3.
What is the molecular weight of Ethyl (+-)-2',4'-difluoro-alpha-methyl-gamma-oxo-(1,1'-biphenyl)-4-butanoate?
The molecular weight of Ethyl (+-)-2',4'-difluoro-alpha-methyl-gamma-oxo-(1,1'-biphenyl)-4-butanoate is 332.12 g/mol.
Where can I buy Ethyl (+-)-2',4'-difluoro-alpha-methyl-gamma-oxo-(1,1'-biphenyl)-4-butanoate?
You can request a quote for Ethyl (+-)-2',4'-difluoro-alpha-methyl-gamma-oxo-(1,1'-biphenyl)-4-butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (+-)-2',4'-difluoro-alpha-methyl-gamma-oxo-(1,1'-biphenyl)-4-butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (+-)-2',4'-difluoro-alpha-methyl-gamma-oxo-(1,1'-biphenyl)-4-butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.