2-(4-(Diethylamino)phenyl)-2-oxoacetic acid
TL;DR: 2-(4-(Diethylamino)phenyl)-2-oxoacetic acid (CAS 151453-17-7) 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-[4-(diethylamino)phenyl]-2-oxoacetic acid
Also Known As: 2-(4-(Diethylamino)phenyl)-2-oxoacetic acid, 2-[4-(diethylamino)phenyl]-2-oxoacetic acid, Benzeneacetic acid, 4-(diethylamino)-alpha-oxo-, 2-(4-diethylaminophenyl)-2-oxo-acetic Acid, 2-[4-(diethylamino)phenyl]-2-oxo-acetic acid
Technical Specifications
| Molecular Formula | C12H15NO3 |
| Molecular Weight | 221.1052 g/mol |
| XLogP | 2.2 |
| 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 | 253.0 |
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=O)C(=O)O |
| InChIKey | GQYPZYGCWDFWAF-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-(Diethylamino)phenyl)-2-oxoacetic acid
Property Insights of 2-(4-(Diethylamino)phenyl)-2-oxoacetic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-(Diethylamino)phenyl)-2-oxoacetic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 2-(4-(Diethylamino)phenyl)-2-oxoacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-(Diethylamino)phenyl)-2-oxoacetic 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-(4-(Diethylamino)phenyl)-2-oxoacetic acid?
The CAS number of 2-(4-(Diethylamino)phenyl)-2-oxoacetic acid is 151453-17-7.
What is the molecular formula of 2-(4-(Diethylamino)phenyl)-2-oxoacetic acid?
The molecular formula of 2-(4-(Diethylamino)phenyl)-2-oxoacetic acid is C12H15NO3.
What is the molecular weight of 2-(4-(Diethylamino)phenyl)-2-oxoacetic acid?
The molecular weight of 2-(4-(Diethylamino)phenyl)-2-oxoacetic acid is 221.1052 g/mol.
Where can I buy 2-(4-(Diethylamino)phenyl)-2-oxoacetic acid?
You can request a quote for 2-(4-(Diethylamino)phenyl)-2-oxoacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-(Diethylamino)phenyl)-2-oxoacetic acid?
Yes, CoreyChem provides custom synthesis services for 2-(4-(Diethylamino)phenyl)-2-oxoacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.