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 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 100390-68-9 |
|---|---|
| SMILES | CN(C)C(CC(=O)C1=CC=CC=C1)C(=O)O |
| InChIKey | XBELJAKUPWHCFQ-UHFFFAOYSA-N |
Product Overview
2-(Dimethylamino)-4-oxo-4-phenylbutanoic acid (CAS 100390-68-9), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: 2-(dimethylamino)-4-oxo-4-phenylbutanoic acid.
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
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 221.11 g/mol.
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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dimethylamino)-4-oxo-4-phenylbutanoic acid?
Yes, KEHONG BIO 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.