![4-(4-Fluoroanilino)-2-[2-(3-methylanilino)ethylamino]-4-oxobutanoic acid structure](/static/products/1031/1031806-47-9.webp)
4-(4-Fluoroanilino)-2-[2-(3-methylanilino)ethylamino]-4-oxobutanoic acid
TL;DR: 4-(4-Fluoroanilino)-2-[2-(3-methylanilino)ethylamino]-4-oxobutanoic acid (CAS 1031806-47-9) is a chemical compound with molecular formula C19H22FN3O3 and molecular weight 359.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluoroanilino)-2-[2-(3-methylanilino)ethylamino]-4-oxobutanoic acid
Also Known As: F2721-0150, 4-(4-fluoroanilino)-2-[2-(3-methylanilino)ethylamino]-4-oxobutanoic acid, 3-[(4-FLUOROPHENYL)CARBAMOYL]-2-({2-[(3-METHYLPHENYL)AMINO]ETHYL}AMINO)PROPANOIC ACID, 4-((4-fluorophenyl)amino)-4-oxo-2-((2-(m-tolylamino)ethyl)amino)butanoic acid, 3-(N-p-fluorophenylcarbamoyl)-2-(2-m-toluidinoethylamino)propionic acid
| Molecular Formula | C19H22FN3O3 |
|---|---|
| Molecular Weight | 359.16 g/mol |
| LogP | 2.61762 |
| Topological Polar Surface Area | 90.46 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 359.16452 |
| Heavy Atoms | 26 |
| Complexity | 749.9495 |
Chemical Identifiers
| CAS Number | 1031806-47-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NCCNC(CC(=O)NC2=CC=C(C=C2)F)C(=O)O |
Product Overview
4-(4-Fluoroanilino)-2-[2-(3-methylanilino)ethylamino]-4-oxobutanoic acid (CAS 1031806-47-9), with molecular formula C19H22FN3O3 and molecular weight 359.16 g/mol. IUPAC: 4-(4-fluoroanilino)-2-[2-(3-methylanilino)ethylamino]-4-oxobutanoic acid.
Chemical Property Profile of 4-(4-Fluoroanilino)-2-[2-(3-methylanilino)ethylamino]-4-oxobutanoic acid
Property Insights of 4-(4-Fluoroanilino)-2-[2-(3-methylanilino)ethylamino]-4-oxobutanoic acid
The XLogP value of 2.61762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Fluoroanilino)-2-[2-(3-methylanilino)ethylamino]-4-oxobutanoic acid. The TPSA of 90.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Fluoroanilino)-2-[2-(3-methylanilino)ethylamino]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(4-Fluoroanilino)-2-[2-(3-methylanilino)ethylamino]-4-oxobutanoic acid has 4 hydrogen bond donor(s) and 4 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-Fluoroanilino)-2-[2-(3-methylanilino)ethylamino]-4-oxobutanoic acid?
The CAS number of 4-(4-Fluoroanilino)-2-[2-(3-methylanilino)ethylamino]-4-oxobutanoic acid is 1031806-47-9.
What is the molecular formula of 4-(4-Fluoroanilino)-2-[2-(3-methylanilino)ethylamino]-4-oxobutanoic acid?
The molecular formula of 4-(4-Fluoroanilino)-2-[2-(3-methylanilino)ethylamino]-4-oxobutanoic acid is C19H22FN3O3.
What is the molecular weight of 4-(4-Fluoroanilino)-2-[2-(3-methylanilino)ethylamino]-4-oxobutanoic acid?
The molecular weight of 4-(4-Fluoroanilino)-2-[2-(3-methylanilino)ethylamino]-4-oxobutanoic acid is 359.16 g/mol.
Where can I buy 4-(4-Fluoroanilino)-2-[2-(3-methylanilino)ethylamino]-4-oxobutanoic acid?
You can request a quote for 4-(4-Fluoroanilino)-2-[2-(3-methylanilino)ethylamino]-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-Fluoroanilino)-2-[2-(3-methylanilino)ethylamino]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Fluoroanilino)-2-[2-(3-methylanilino)ethylamino]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.