(E)-3-(2-methyl-1H-imidazol-4-yl)acrylic acid
TL;DR: (E)-3-(2-methyl-1H-imidazol-4-yl)acrylic acid (CAS 121697-42-5) is a chemical compound with molecular formula C7H8N2O2 and molecular weight 152.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-methyl-1H-imidazol-5-yl)prop-2-enoic acid
Also Known As: 3-(2-methyl-1h-imidazol-4-yl)acrylic acid, 3-(2-METHYL-1H-IMIDAZOL-4-YL)-ACRYLIC ACID, (E)-3-(2-methyl-1H-imidazol-4-yl)acrylic acid, 3-(2-METHYL-1H-IMIDAZOL-4-YL)PROP-2-ENOIC ACID
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8N2O2 |
| Molecular Weight | 152.05858 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.05858 Da |
| Heavy Atoms | 11 |
| Complexity | 179.0 |
| SMILES | CC1=NC=C(N1)C=CC(=O)O |
| InChIKey | CPSIAPNNZKIFKI-UHFFFAOYSA-N |
Chemical Property Profile of (E)-3-(2-methyl-1H-imidazol-4-yl)acrylic acid
Property Insights of (E)-3-(2-methyl-1H-imidazol-4-yl)acrylic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(2-methyl-1H-imidazol-4-yl)acrylic acid. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(2-methyl-1H-imidazol-4-yl)acrylic acid. Following Lipinski's Rule of Five, (E)-3-(2-methyl-1H-imidazol-4-yl)acrylic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-3-(2-methyl-1H-imidazol-4-yl)acrylic acid?
The CAS number of (E)-3-(2-methyl-1H-imidazol-4-yl)acrylic acid is 121697-42-5.
What is the molecular formula of (E)-3-(2-methyl-1H-imidazol-4-yl)acrylic acid?
The molecular formula of (E)-3-(2-methyl-1H-imidazol-4-yl)acrylic acid is C7H8N2O2.
What is the molecular weight of (E)-3-(2-methyl-1H-imidazol-4-yl)acrylic acid?
The molecular weight of (E)-3-(2-methyl-1H-imidazol-4-yl)acrylic acid is 152.05858 g/mol.
Where can I buy (E)-3-(2-methyl-1H-imidazol-4-yl)acrylic acid?
You can request a quote for (E)-3-(2-methyl-1H-imidazol-4-yl)acrylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-3-(2-methyl-1H-imidazol-4-yl)acrylic acid?
Yes, CoreyChem provides custom synthesis services for (E)-3-(2-methyl-1H-imidazol-4-yl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.