![[(4-Methoxybenzoyl)amino] 3-oxobutanoate structure](/static/products/100/100193-18-8.webp)
[(4-Methoxybenzoyl)amino] 3-oxobutanoate
TL;DR: [(4-Methoxybenzoyl)amino] 3-oxobutanoate (CAS 100193-18-8) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.07938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4-methoxybenzoyl)amino] 3-oxobutanoate
Also Known As: N-acetoacetyloxy-4-methoxybenzamide, [(4-methoxybenzoyl)amino] 3-oxobutanoate, N-(acetoacetyloxy)-4-methoxybenzamide, p-Methoxy-benzhydroxamsaeure-O-acetoacetat, 4-methoxy-N-((3-oxobutanoyl)oxy)benzamide
Technical Specifications
| Molecular Formula | C12H13NO5 |
| Molecular Weight | 251.07938 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.07938 Da |
| Heavy Atoms | 18 |
| Complexity | 320.0 |
| SMILES | CC(=O)CC(=O)ONC(=O)C1=CC=C(C=C1)OC |
| InChIKey | YGYZQSLULYUTST-UHFFFAOYSA-N |
Chemical Property Profile of [(4-Methoxybenzoyl)amino] 3-oxobutanoate
Property Insights of [(4-Methoxybenzoyl)amino] 3-oxobutanoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(4-Methoxybenzoyl)amino] 3-oxobutanoate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [(4-Methoxybenzoyl)amino] 3-oxobutanoate. Following Lipinski's Rule of Five, [(4-Methoxybenzoyl)amino] 3-oxobutanoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of [(4-Methoxybenzoyl)amino] 3-oxobutanoate?
The CAS number of [(4-Methoxybenzoyl)amino] 3-oxobutanoate is 100193-18-8.
What is the molecular formula of [(4-Methoxybenzoyl)amino] 3-oxobutanoate?
The molecular formula of [(4-Methoxybenzoyl)amino] 3-oxobutanoate is C12H13NO5.
What is the molecular weight of [(4-Methoxybenzoyl)amino] 3-oxobutanoate?
The molecular weight of [(4-Methoxybenzoyl)amino] 3-oxobutanoate is 251.07938 g/mol.
Where can I buy [(4-Methoxybenzoyl)amino] 3-oxobutanoate?
You can request a quote for [(4-Methoxybenzoyl)amino] 3-oxobutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [(4-Methoxybenzoyl)amino] 3-oxobutanoate?
Yes, CoreyChem provides custom synthesis services for [(4-Methoxybenzoyl)amino] 3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.