(1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, 2-methylpropyl ester, (+-)-
TL;DR: (1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, 2-methylpropyl ester, (+-)- (CAS 139747-49-2) is a chemical compound with molecular formula C21H22F2O3 and molecular weight 360.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate
Also Known As: (1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, 2-methylpropyl ester, (+-)-, 2-methylpropyl 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate, 2-methylpropyl 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxo-butanoate, [1,1'-Biphenyl]-4-butanoicacid, 2',4'-difluoro-a-methyl-g-oxo-,2-methylpropyl ester, [1,1'-Biphenyl]-4-butanoicacid,2',4'-difluoro-a-methyl-g-oxo-,2-methylpropyl ester
| Molecular Formula | C21H22F2O3 |
|---|---|
| Molecular Weight | 360.15 g/mol |
| LogP | 5.0399 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.1537 |
| Heavy Atoms | 26 |
| Complexity | 782.34326 |
Chemical Identifiers
| CAS Number | 139747-49-2 |
|---|---|
| SMILES | CC(C)COC(=O)C(C)CC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)F)F |
Product Overview
(1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, 2-methylpropyl ester, (+-)- (CAS 139747-49-2), with molecular formula C21H22F2O3 and molecular weight 360.15 g/mol. IUPAC: 2-methylpropyl 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate.
Chemical Property Profile of (1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, 2-methylpropyl ester, (+-)-
Property Insights of (1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, 2-methylpropyl ester, (+-)-
The XLogP value of 5.0399 indicates that (1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, 2-methylpropyl ester, (+-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, (1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, 2-methylpropyl ester, (+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, 2-methylpropyl ester, (+-)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, 2-methylpropyl ester, (+-)-?
The CAS number of (1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, 2-methylpropyl ester, (+-)- is 139747-49-2.
What is the molecular formula of (1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, 2-methylpropyl ester, (+-)-?
The molecular formula of (1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, 2-methylpropyl ester, (+-)- is C21H22F2O3.
What is the molecular weight of (1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, 2-methylpropyl ester, (+-)-?
The molecular weight of (1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, 2-methylpropyl ester, (+-)- is 360.15 g/mol.
Where can I buy (1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, 2-methylpropyl ester, (+-)-?
You can request a quote for (1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, 2-methylpropyl ester, (+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, 2-methylpropyl ester, (+-)-?
Yes, KEHONG BIO provides custom synthesis services for (1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, 2-methylpropyl ester, (+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.