2-(1-Phenylethyl)malonic acid
TL;DR: 2-(1-Phenylethyl)malonic acid (CAS 103988-45-0) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-phenylethyl)propanedioic acid
Also Known As: 2-(1-phenylethyl)malonic acid, 2-(1-phenylethyl)propanedioic acid, NCIOpen2_006815, (1-phenyl-ethyl)-malonic acid, 2-(phenylethyl)propanedioic acid
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H12O4 |
| Molecular Weight | 208.07356 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.07356 Da |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
| SMILES | CC(C1=CC=CC=C1)C(C(=O)O)C(=O)O |
| InChIKey | AHWJRDQVJRKCPR-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1-Phenylethyl)malonic acid
Property Insights of 2-(1-Phenylethyl)malonic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Phenylethyl)malonic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Phenylethyl)malonic acid. Following Lipinski's Rule of Five, 2-(1-Phenylethyl)malonic acid has 2 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-(1-Phenylethyl)malonic acid?
The CAS number of 2-(1-Phenylethyl)malonic acid is 103988-45-0.
What is the molecular formula of 2-(1-Phenylethyl)malonic acid?
The molecular formula of 2-(1-Phenylethyl)malonic acid is C11H12O4.
What is the molecular weight of 2-(1-Phenylethyl)malonic acid?
The molecular weight of 2-(1-Phenylethyl)malonic acid is 208.07356 g/mol.
Where can I buy 2-(1-Phenylethyl)malonic acid?
You can request a quote for 2-(1-Phenylethyl)malonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1-Phenylethyl)malonic acid?
Yes, CoreyChem provides custom synthesis services for 2-(1-Phenylethyl)malonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.