Calcium 4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoate
TL;DR: Calcium 4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoate (CAS 139767-62-7) is a chemical compound with molecular formula C34H26CaF4O6 and molecular weight 646.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate)
Also Known As: Calcium 4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoate, Calcium 2',4'-difluoro-alpha-methyl-gamma-oxo-(1,1'-biphenyl)-4-butanoate (2:1), (1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, calcium salt (2:1), CALCIUM 4-[4-(2,4-DIFLUOROPHENYL)PHENYL]-2-METHYL-4-OXO-BUTANOATE, calcium 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate
| Molecular Formula | C34H26CaF4O6 |
|---|---|
| Molecular Weight | 646.13 g/mol |
| LogP | 4.8004 |
| Topological Polar Surface Area | 114.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 646.12915 |
| Heavy Atoms | 45 |
| Complexity | 1548.6064 |
Chemical Identifiers
| CAS Number | 139767-62-7 |
|---|---|
| SMILES | CC(CC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)F)F)C(=O)[O-].CC(CC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)F)F)C(=O)[O-].[Ca+2] |
Product Overview
Calcium 4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoate (CAS 139767-62-7), with molecular formula C34H26CaF4O6 and molecular weight 646.13 g/mol. IUPAC: calcium bis(4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate).
Chemical Property Profile of Calcium 4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoate
Property Insights of Calcium 4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoate
The XLogP value of 4.8004 indicates that Calcium 4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium 4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoate. Following Lipinski's Rule of Five, Calcium 4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calcium 4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoate?
The CAS number of Calcium 4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoate is 139767-62-7.
What is the molecular formula of Calcium 4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoate?
The molecular formula of Calcium 4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoate is C34H26CaF4O6.
What is the molecular weight of Calcium 4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoate?
The molecular weight of Calcium 4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoate is 646.13 g/mol.
Where can I buy Calcium 4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoate?
You can request a quote for Calcium 4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium 4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Calcium 4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.