![2-[(4-Fluorobenzyl)amino]-4-(4-isopropylphenyl)-4-oxobutanoic acid structure](/static/products/1024/1024697-65-1.webp)
2-[(4-Fluorobenzyl)amino]-4-(4-isopropylphenyl)-4-oxobutanoic acid
TL;DR: 2-[(4-Fluorobenzyl)amino]-4-(4-isopropylphenyl)-4-oxobutanoic acid (CAS 1024697-65-1) is a chemical compound with molecular formula C20H22FNO3 and molecular weight 343.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorophenyl)methylamino]-4-oxo-4-(4-propan-2-ylphenyl)butanoic acid
Also Known As: 2-[(4-fluorobenzyl)amino]-4-(4-isopropylphenyl)-4-oxobutanoic acid, 2-[(4-fluorophenyl)methylamino]-4-oxo-4-(4-propan-2-ylphenyl)butanoic Acid, 2-{[(4-fluorophenyl)methyl]amino}-4-oxo-4-[4-(propan-2-yl)phenyl]butanoic acid, 2-{[(4-fluorophenyl)methyl]amino}-4-oxo-4-[4-(propan-2-yl)phenyl]butanoicacid
| Molecular Formula | C20H22FNO3 |
|---|---|
| Molecular Weight | 343.16 g/mol |
| LogP | 3.7649 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 343.1584 |
| Heavy Atoms | 25 |
| Complexity | 723.6114 |
Chemical Identifiers
| CAS Number | 1024697-65-1 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(=O)CC(C(=O)O)NCC2=CC=C(C=C2)F |
Product Overview
2-[(4-Fluorobenzyl)amino]-4-(4-isopropylphenyl)-4-oxobutanoic acid (CAS 1024697-65-1), with molecular formula C20H22FNO3 and molecular weight 343.16 g/mol. IUPAC: 2-[(4-fluorophenyl)methylamino]-4-oxo-4-(4-propan-2-ylphenyl)butanoic acid.
Chemical Property Profile of 2-[(4-Fluorobenzyl)amino]-4-(4-isopropylphenyl)-4-oxobutanoic acid
Property Insights of 2-[(4-Fluorobenzyl)amino]-4-(4-isopropylphenyl)-4-oxobutanoic acid
The XLogP value of 3.7649 indicates that 2-[(4-Fluorobenzyl)amino]-4-(4-isopropylphenyl)-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 2-[(4-Fluorobenzyl)amino]-4-(4-isopropylphenyl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 2-[(4-Fluorobenzyl)amino]-4-(4-isopropylphenyl)-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 2-[(4-Fluorobenzyl)amino]-4-(4-isopropylphenyl)-4-oxobutanoic acid?
The CAS number of 2-[(4-Fluorobenzyl)amino]-4-(4-isopropylphenyl)-4-oxobutanoic acid is 1024697-65-1.
What is the molecular formula of 2-[(4-Fluorobenzyl)amino]-4-(4-isopropylphenyl)-4-oxobutanoic acid?
The molecular formula of 2-[(4-Fluorobenzyl)amino]-4-(4-isopropylphenyl)-4-oxobutanoic acid is C20H22FNO3.
What is the molecular weight of 2-[(4-Fluorobenzyl)amino]-4-(4-isopropylphenyl)-4-oxobutanoic acid?
The molecular weight of 2-[(4-Fluorobenzyl)amino]-4-(4-isopropylphenyl)-4-oxobutanoic acid is 343.16 g/mol.
Where can I buy 2-[(4-Fluorobenzyl)amino]-4-(4-isopropylphenyl)-4-oxobutanoic acid?
You can request a quote for 2-[(4-Fluorobenzyl)amino]-4-(4-isopropylphenyl)-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 2-[(4-Fluorobenzyl)amino]-4-(4-isopropylphenyl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Fluorobenzyl)amino]-4-(4-isopropylphenyl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.