4-(3-Acetamidoanilino)-4-oxobutanoic acid
TL;DR: 4-(3-Acetamidoanilino)-4-oxobutanoic acid (CAS 722466-08-2) is a chemical compound with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-acetamidoanilino)-4-oxobutanoic acid
Also Known As: 4-(3-acetamidoanilino)-4-oxobutanoic acid, 4-((3-Acetamidophenyl)amino)-4-oxobutanoic acid, 4-[3-(acetylamino)anilino]-4-oxobutanoic acid, 3-{N-[3-(acetylamino)phenyl]carbamoyl}propanoic acid, 4-{[3-(acetylamino)phenyl]amino}-4-oxobutanoic acid
| Molecular Formula | C12H14N2O4 |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 1.4483 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.09535 |
| Heavy Atoms | 18 |
| Complexity | 470.90015 |
Chemical Identifiers
| CAS Number | 722466-08-2 |
|---|---|
| SMILES | CC(=O)NC1=CC(=CC=C1)NC(=O)CCC(=O)O |
Product Overview
4-(3-Acetamidoanilino)-4-oxobutanoic acid (CAS 722466-08-2), with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol. IUPAC: 4-(3-acetamidoanilino)-4-oxobutanoic acid.
Chemical Property Profile of 4-(3-Acetamidoanilino)-4-oxobutanoic acid
Property Insights of 4-(3-Acetamidoanilino)-4-oxobutanoic acid
The XLogP value of 1.4483 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Acetamidoanilino)-4-oxobutanoic acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Acetamidoanilino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(3-Acetamidoanilino)-4-oxobutanoic acid has 3 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-(3-Acetamidoanilino)-4-oxobutanoic acid?
The CAS number of 4-(3-Acetamidoanilino)-4-oxobutanoic acid is 722466-08-2.
What is the molecular formula of 4-(3-Acetamidoanilino)-4-oxobutanoic acid?
The molecular formula of 4-(3-Acetamidoanilino)-4-oxobutanoic acid is C12H14N2O4.
What is the molecular weight of 4-(3-Acetamidoanilino)-4-oxobutanoic acid?
The molecular weight of 4-(3-Acetamidoanilino)-4-oxobutanoic acid is 250.10 g/mol.
Where can I buy 4-(3-Acetamidoanilino)-4-oxobutanoic acid?
You can request a quote for 4-(3-Acetamidoanilino)-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-Acetamidoanilino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Acetamidoanilino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.