2-Ethyl-3-(3-nitrophenyl)propenoic acid
TL;DR: 2-Ethyl-3-(3-nitrophenyl)propenoic acid (CAS 124525-55-9) is a chemical compound with molecular formula C11H11NO4 and molecular weight 221.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-nitrophenyl)methylidene]butanoic acid
Also Known As: m-nitro-alpha-ethylcinnamic acid, alpha-Ethyl-3-nitrocinnamic acid, 2-ethyl-3-(3-nitrophenyl)propenoic acid, 2-(3-Nitro-benzylidene)-butyric acid, 2-[(3-Nitrophenyl)methylene]butanoic acid
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H11NO4 |
| Molecular Weight | 221.0688 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.0688 Da |
| Heavy Atoms | 16 |
| Complexity | 306.0 |
| SMILES | CCC(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)O |
| InChIKey | QMUHBYNLXQHZNR-UHFFFAOYSA-N |
Chemical Property Profile of 2-Ethyl-3-(3-nitrophenyl)propenoic acid
Property Insights of 2-Ethyl-3-(3-nitrophenyl)propenoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-3-(3-nitrophenyl)propenoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethyl-3-(3-nitrophenyl)propenoic acid. Following Lipinski's Rule of Five, 2-Ethyl-3-(3-nitrophenyl)propenoic 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-Ethyl-3-(3-nitrophenyl)propenoic acid?
The CAS number of 2-Ethyl-3-(3-nitrophenyl)propenoic acid is 124525-55-9.
What is the molecular formula of 2-Ethyl-3-(3-nitrophenyl)propenoic acid?
The molecular formula of 2-Ethyl-3-(3-nitrophenyl)propenoic acid is C11H11NO4.
What is the molecular weight of 2-Ethyl-3-(3-nitrophenyl)propenoic acid?
The molecular weight of 2-Ethyl-3-(3-nitrophenyl)propenoic acid is 221.0688 g/mol.
Where can I buy 2-Ethyl-3-(3-nitrophenyl)propenoic acid?
You can request a quote for 2-Ethyl-3-(3-nitrophenyl)propenoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Ethyl-3-(3-nitrophenyl)propenoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Ethyl-3-(3-nitrophenyl)propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.