![4-[2-(Methoxycarbonyl)anilino]-4-oxobutanoic acid structure](/static/products/1085/108540-96-1.webp)
4-[2-(Methoxycarbonyl)anilino]-4-oxobutanoic acid
TL;DR: 4-[2-(Methoxycarbonyl)anilino]-4-oxobutanoic acid (CAS 108540-96-1) 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-(2-methoxycarbonylanilino)-4-oxobutanoic acid
Also Known As: 4-[2-(methoxycarbonyl)anilino]-4-oxobutanoic acid, 4-(2-methoxycarbonylanilino)-4-oxobutanoic acid, 2-Methoxycarbonyl succinanilic acid, 3-{[2-(methoxycarbonyl)phenyl]carbamoyl}propanoic acid, 4-((2-(methoxycarbonyl)phenyl)amino)-4-oxobutanoic acid
Technical Specifications
| Molecular Formula | C12H13NO5 |
| Molecular Weight | 251.07938 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.07938 Da |
| Heavy Atoms | 18 |
| Complexity | 328.0 |
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CCC(=O)O |
| InChIKey | TZWCYFXAELHYGX-UHFFFAOYSA-N |
Chemical Property Profile of 4-[2-(Methoxycarbonyl)anilino]-4-oxobutanoic acid
Property Insights of 4-[2-(Methoxycarbonyl)anilino]-4-oxobutanoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(Methoxycarbonyl)anilino]-4-oxobutanoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(Methoxycarbonyl)anilino]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-[2-(Methoxycarbonyl)anilino]-4-oxobutanoic acid has 2 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-[2-(Methoxycarbonyl)anilino]-4-oxobutanoic acid?
The CAS number of 4-[2-(Methoxycarbonyl)anilino]-4-oxobutanoic acid is 108540-96-1.
What is the molecular formula of 4-[2-(Methoxycarbonyl)anilino]-4-oxobutanoic acid?
The molecular formula of 4-[2-(Methoxycarbonyl)anilino]-4-oxobutanoic acid is C12H13NO5.
What is the molecular weight of 4-[2-(Methoxycarbonyl)anilino]-4-oxobutanoic acid?
The molecular weight of 4-[2-(Methoxycarbonyl)anilino]-4-oxobutanoic acid is 251.07938 g/mol.
Where can I buy 4-[2-(Methoxycarbonyl)anilino]-4-oxobutanoic acid?
You can request a quote for 4-[2-(Methoxycarbonyl)anilino]-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[2-(Methoxycarbonyl)anilino]-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-[2-(Methoxycarbonyl)anilino]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.