RefChem:350786
TL;DR: RefChem:350786 (CAS 161692-95-1) is a chemical compound with molecular formula C23H28F2N2O5 and molecular weight 450.19662 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2,6-diaminohexanoic acid;4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid
Also Known As: (S)-(+)-Lysine salt of 4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoic acid, (1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, L-lysine salt (1:1), L-Lysine, mono((+-)-2',4'-difluoro-alpha-methyl-gamma-oxo(1,1-biphenyl)-4-butanoate), 4-(2',4'-Difluoro[1,1'-biphenyl]-4-yl)-2-methyl-4-oxobutanoic acid--L-lysine (1/1), 4-(2',4'-Difluoro[1,1'-biphenyl]-4-yl)-2-methyl-4-oxobutanoic acid--lysine (1/1)
Technical Specifications
| Molecular Formula | C23H28F2N2O5 |
| Molecular Weight | 450.19662 g/mol |
| XLogP | 3.4526 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 450.19662 Da |
| Heavy Atoms | 32 |
| Complexity | 511.0 |
| SMILES | CC(CC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)F)F)C(=O)O.C(CCN)C[C@@H](C(=O)O)N |
| InChIKey | UQANTCBTGSTEGV-ZSCHJXSPSA-N |
Chemical Property Profile of RefChem:350786
Property Insights of RefChem:350786
The XLogP value of 3.4526 indicates that RefChem:350786 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting RefChem:350786 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:350786 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:350786?
The CAS number of RefChem:350786 is 161692-95-1.
What is the molecular formula of RefChem:350786?
The molecular formula of RefChem:350786 is C23H28F2N2O5.
What is the molecular weight of RefChem:350786?
The molecular weight of RefChem:350786 is 450.19662 g/mol.
Where can I buy RefChem:350786?
You can request a quote for RefChem:350786 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:350786?
Yes, CoreyChem provides custom synthesis services for RefChem:350786 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.