2-(Dimethylamino)-4-oxo-4-phenylbutanoic acid
TL;DR: 2-(Dimethylamino)-4-oxo-4-phenylbutanoic acid (CAS 100390-68-9) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(dimethylamino)-4-oxo-4-phenylbutanoic acid
Also Known As: 2-dimethylamino-4-oxo-4-phenyl-butyric acid, 2-(dimethylamino)-4-oxo-4-phenylbutanoic acid
Technical Specifications
| Molecular Formula | C12H15NO3 |
| Molecular Weight | 221.1052 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.1052 Da |
| Heavy Atoms | 16 |
| Complexity | 257.0 |
| SMILES | CN(C)C(CC(=O)C1=CC=CC=C1)C(=O)O |
| InChIKey | XBELJAKUPWHCFQ-UHFFFAOYSA-N |
Product Description
Applications: 2-(Dimethylamino)-4-oxo-4-phenylbutanoic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-(Dimethylamino)-4-oxo-4-phenylbutanoic acid (CAS 100390-68-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2-(Dimethylamino)-4-oxo-4-phenylbutanoic acid (CAS 100390-68-9) is a fine chemical with the molecular formula C12H15NO3 and a molecular weight of 221.11 g/mol. It is also known as 2-dimethylamino-4-oxo-4-phenyl-butyric acid and 2-(dimethylamino)-4-oxo-4-phenylbutanoic acid.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-(Dimethylamino)-4-oxo-4-phenylbutanoic acid
Property Insights of 2-(Dimethylamino)-4-oxo-4-phenylbutanoic acid
The XLogP value of -1.1 indicates that 2-(Dimethylamino)-4-oxo-4-phenylbutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.6 Ų, 2-(Dimethylamino)-4-oxo-4-phenylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dimethylamino)-4-oxo-4-phenylbutanoic acid 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
What is the CAS number of 2-(Dimethylamino)-4-oxo-4-phenylbutanoic acid?
The CAS number of 2-(Dimethylamino)-4-oxo-4-phenylbutanoic acid is 100390-68-9.
What is the molecular formula of 2-(Dimethylamino)-4-oxo-4-phenylbutanoic acid?
The molecular formula of 2-(Dimethylamino)-4-oxo-4-phenylbutanoic acid is C12H15NO3.
What is the molecular weight of 2-(Dimethylamino)-4-oxo-4-phenylbutanoic acid?
The molecular weight of 2-(Dimethylamino)-4-oxo-4-phenylbutanoic acid is 221.1052 g/mol.
What are the applications of 2-(Dimethylamino)-4-oxo-4-phenylbutanoic acid?
2-(Dimethylamino)-4-oxo-4-phenylbutanoic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-(Dimethylamino)-4-oxo-4-phenylbutanoic acid (CAS 100390-68-9) with custom synthesis available from...
Where can I buy 2-(Dimethylamino)-4-oxo-4-phenylbutanoic acid?
You can request a quote for 2-(Dimethylamino)-4-oxo-4-phenylbutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Dimethylamino)-4-oxo-4-phenylbutanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(Dimethylamino)-4-oxo-4-phenylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.