![4-[4-(Tert-butyl)phenyl]-2-[(4-fluorobenzyl)amino]-4-oxobutanoic acid structure](/static/products/1026/1026751-55-2.webp)
4-[4-(Tert-butyl)phenyl]-2-[(4-fluorobenzyl)amino]-4-oxobutanoic acid
TL;DR: 4-[4-(Tert-butyl)phenyl]-2-[(4-fluorobenzyl)amino]-4-oxobutanoic acid (CAS 1026751-55-2) is a chemical compound with molecular formula C21H24FNO3 and molecular weight 357.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methylamino]-4-oxobutanoic acid
Also Known As: 4-[4-(tert-butyl)phenyl]-2-[(4-fluorobenzyl)amino]-4-oxobutanoic acid, 4-(4-tert-butylphenyl)-2-{[(4-fluorophenyl)methyl]amino}-4-oxobutanoic acid, 4-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methylamino]-4-oxobutanoic acid, 2-[(4-fluorophenyl)methylamino]-4-oxo-4-(4-tert-butylphenyl)butanoic Acid, 4-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methylamino]-4-oxo-butanoic acid
| Molecular Formula | C21H24FNO3 |
|---|---|
| Molecular Weight | 357.17 g/mol |
| LogP | 3.939 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 357.174 |
| Heavy Atoms | 26 |
| Complexity | 761.3384 |
Chemical Identifiers
| CAS Number | 1026751-55-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)CC(C(=O)O)NCC2=CC=C(C=C2)F |
Product Overview
4-[4-(Tert-butyl)phenyl]-2-[(4-fluorobenzyl)amino]-4-oxobutanoic acid (CAS 1026751-55-2), with molecular formula C21H24FNO3 and molecular weight 357.17 g/mol. IUPAC: 4-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methylamino]-4-oxobutanoic acid.
Chemical Property Profile of 4-[4-(Tert-butyl)phenyl]-2-[(4-fluorobenzyl)amino]-4-oxobutanoic acid
Property Insights of 4-[4-(Tert-butyl)phenyl]-2-[(4-fluorobenzyl)amino]-4-oxobutanoic acid
The XLogP value of 3.939 indicates that 4-[4-(Tert-butyl)phenyl]-2-[(4-fluorobenzyl)amino]-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(Tert-butyl)phenyl]-2-[(4-fluorobenzyl)amino]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-[4-(Tert-butyl)phenyl]-2-[(4-fluorobenzyl)amino]-4-oxobutanoic acid has 2 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 4-[4-(Tert-butyl)phenyl]-2-[(4-fluorobenzyl)amino]-4-oxobutanoic acid?
The CAS number of 4-[4-(Tert-butyl)phenyl]-2-[(4-fluorobenzyl)amino]-4-oxobutanoic acid is 1026751-55-2.
What is the molecular formula of 4-[4-(Tert-butyl)phenyl]-2-[(4-fluorobenzyl)amino]-4-oxobutanoic acid?
The molecular formula of 4-[4-(Tert-butyl)phenyl]-2-[(4-fluorobenzyl)amino]-4-oxobutanoic acid is C21H24FNO3.
What is the molecular weight of 4-[4-(Tert-butyl)phenyl]-2-[(4-fluorobenzyl)amino]-4-oxobutanoic acid?
The molecular weight of 4-[4-(Tert-butyl)phenyl]-2-[(4-fluorobenzyl)amino]-4-oxobutanoic acid is 357.17 g/mol.
Where can I buy 4-[4-(Tert-butyl)phenyl]-2-[(4-fluorobenzyl)amino]-4-oxobutanoic acid?
You can request a quote for 4-[4-(Tert-butyl)phenyl]-2-[(4-fluorobenzyl)amino]-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(Tert-butyl)phenyl]-2-[(4-fluorobenzyl)amino]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(Tert-butyl)phenyl]-2-[(4-fluorobenzyl)amino]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.