Butanoic acid, 4-((2-acetylphenyl)amino)-4-oxo-, methyl ester
TL;DR: Butanoic acid, 4-((2-acetylphenyl)amino)-4-oxo-, methyl ester (CAS 41242-36-8) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-acetylanilino)-4-oxobutanoate
Also Known As: methyl 4-(2-acetylanilino)-4-oxobutanoate, (Carbomethoxy-3 propionamido)-2 acetophenone, Methyl 4-((2-acetylphenyl)amino)-4-oxobutanoate, methyl 4-[(2-acetylphenyl)amino]-4-oxobutanoate, (Carbomethoxy-3 propionamido)-2 acetophenone [French]
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 41242-36-8 |
|---|---|
| SMILES | CC(=O)C1=CC=CC=C1NC(=O)CCC(=O)OC |
| InChIKey | DAGKPVMCRDOMSU-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 4-((2-acetylphenyl)amino)-4-oxo-, methyl ester (CAS 41242-36-8), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: methyl 4-(2-acetylanilino)-4-oxobutanoate.
Chemical Property Profile of Butanoic acid, 4-((2-acetylphenyl)amino)-4-oxo-, methyl ester
Property Insights of Butanoic acid, 4-((2-acetylphenyl)amino)-4-oxo-, methyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 4-((2-acetylphenyl)amino)-4-oxo-, methyl ester. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 4-((2-acetylphenyl)amino)-4-oxo-, methyl ester. Following Lipinski's Rule of Five, Butanoic acid, 4-((2-acetylphenyl)amino)-4-oxo-, methyl ester has 1 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 Butanoic acid, 4-((2-acetylphenyl)amino)-4-oxo-, methyl ester?
The CAS number of Butanoic acid, 4-((2-acetylphenyl)amino)-4-oxo-, methyl ester is 41242-36-8.
What is the molecular formula of Butanoic acid, 4-((2-acetylphenyl)amino)-4-oxo-, methyl ester?
The molecular formula of Butanoic acid, 4-((2-acetylphenyl)amino)-4-oxo-, methyl ester is C13H15NO4.
What is the molecular weight of Butanoic acid, 4-((2-acetylphenyl)amino)-4-oxo-, methyl ester?
The molecular weight of Butanoic acid, 4-((2-acetylphenyl)amino)-4-oxo-, methyl ester is 249.10 g/mol.
Where can I buy Butanoic acid, 4-((2-acetylphenyl)amino)-4-oxo-, methyl ester?
You can request a quote for Butanoic acid, 4-((2-acetylphenyl)amino)-4-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4-((2-acetylphenyl)amino)-4-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-((2-acetylphenyl)amino)-4-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.