![4-[(3-Chloro-4-fluorophenyl)amino]-4-oxobutanoic acid structure](/static/products/3031/303137-77-1.webp)
4-[(3-Chloro-4-fluorophenyl)amino]-4-oxobutanoic acid
TL;DR: 4-[(3-Chloro-4-fluorophenyl)amino]-4-oxobutanoic acid (CAS 303137-77-1) is a chemical compound with molecular formula C10H9ClFNO3 and molecular weight 245.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloro-4-fluoroanilino)-4-oxobutanoic acid
Also Known As: 4-[(3-chloro-4-fluorophenyl)amino]-4-oxobutanoic acid, 4-(3-chloro-4-fluoroanilino)-4-oxobutanoic acid, 4-((3-Chloro-4-fluorophenyl)amino)-4-oxobutanoic acid, Butanoic acid, 4-[(3-chloro-4-fluorophenyl)amino]-4-oxo-, W-8213
| Molecular Formula | C10H9ClFNO3 |
|---|---|
| Molecular Weight | 245.03 g/mol |
| LogP | 2.2824 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.0255 |
| Heavy Atoms | 16 |
| Complexity | 422.5252 |
Chemical Identifiers
| CAS Number | 303137-77-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)CCC(=O)O)Cl)F |
Product Overview
4-[(3-Chloro-4-fluorophenyl)amino]-4-oxobutanoic acid (CAS 303137-77-1), with molecular formula C10H9ClFNO3 and molecular weight 245.03 g/mol. IUPAC: 4-(3-chloro-4-fluoroanilino)-4-oxobutanoic acid.
Chemical Property Profile of 4-[(3-Chloro-4-fluorophenyl)amino]-4-oxobutanoic acid
Property Insights of 4-[(3-Chloro-4-fluorophenyl)amino]-4-oxobutanoic acid
The XLogP value of 2.2824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-Chloro-4-fluorophenyl)amino]-4-oxobutanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-Chloro-4-fluorophenyl)amino]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-[(3-Chloro-4-fluorophenyl)amino]-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 2 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-[(3-Chloro-4-fluorophenyl)amino]-4-oxobutanoic acid?
The CAS number of 4-[(3-Chloro-4-fluorophenyl)amino]-4-oxobutanoic acid is 303137-77-1.
What is the molecular formula of 4-[(3-Chloro-4-fluorophenyl)amino]-4-oxobutanoic acid?
The molecular formula of 4-[(3-Chloro-4-fluorophenyl)amino]-4-oxobutanoic acid is C10H9ClFNO3.
What is the molecular weight of 4-[(3-Chloro-4-fluorophenyl)amino]-4-oxobutanoic acid?
The molecular weight of 4-[(3-Chloro-4-fluorophenyl)amino]-4-oxobutanoic acid is 245.03 g/mol.
Where can I buy 4-[(3-Chloro-4-fluorophenyl)amino]-4-oxobutanoic acid?
You can request a quote for 4-[(3-Chloro-4-fluorophenyl)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-[(3-Chloro-4-fluorophenyl)amino]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-Chloro-4-fluorophenyl)amino]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.