![3-[4-(1-Imidazolylmethyl)phenyl]-2-propenoic acid structure](/static/products/8257/82571-53-7.webp)
3-[4-(1-Imidazolylmethyl)phenyl]-2-propenoic acid
TL;DR: 3-[4-(1-Imidazolylmethyl)phenyl]-2-propenoic acid (CAS 82571-53-7) is a chemical compound with molecular formula C13H12N2O2 and molecular weight 228.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid
Also Known As: ozagrel, Cis-Ozagrel, Ozagrel [INN], (E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid, 3-[4-(1-imidazolylmethyl)phenyl]-2-propenoic acid
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H12N2O2 |
| Molecular Weight | 228.08987 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.08987 Da |
| Heavy Atoms | 17 |
| Complexity | 283.0 |
| SMILES | C1=CC(=CC=C1CN2C=CN=C2)C=CC(=O)O |
| InChIKey | SHZKQBHERIJWAO-UHFFFAOYSA-N |
Product Description
Applications: 3-[4-(1-Imidazolylmethyl)phenyl]-2-propenoic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-[4-(1-Imidazolylmethyl)phenyl]-2-propenoic acid (CAS 82571-53-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, 3-[4-(1-Imidazolylmethyl)phenyl]-2-propenoic acid (CAS 82571-53-7) has the molecular formula C13H12N2O2 and a molecular weight of 228.09 g/mol. It is also known as ozagrel and Cis-Ozagrel.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-[4-(1-Imidazolylmethyl)phenyl]-2-propenoic acid
Property Insights of 3-[4-(1-Imidazolylmethyl)phenyl]-2-propenoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(1-Imidazolylmethyl)phenyl]-2-propenoic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 3-[4-(1-Imidazolylmethyl)phenyl]-2-propenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(1-Imidazolylmethyl)phenyl]-2-propenoic acid has 1 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 3-[4-(1-Imidazolylmethyl)phenyl]-2-propenoic acid?
The CAS number of 3-[4-(1-Imidazolylmethyl)phenyl]-2-propenoic acid is 82571-53-7.
What is the molecular formula of 3-[4-(1-Imidazolylmethyl)phenyl]-2-propenoic acid?
The molecular formula of 3-[4-(1-Imidazolylmethyl)phenyl]-2-propenoic acid is C13H12N2O2.
What is the molecular weight of 3-[4-(1-Imidazolylmethyl)phenyl]-2-propenoic acid?
The molecular weight of 3-[4-(1-Imidazolylmethyl)phenyl]-2-propenoic acid is 228.08987 g/mol.
What are the applications of 3-[4-(1-Imidazolylmethyl)phenyl]-2-propenoic acid?
3-[4-(1-Imidazolylmethyl)phenyl]-2-propenoic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 3-[4-(1-Imidazolylmethyl)phenyl]-2-propenoic acid?
You can request a quote for 3-[4-(1-Imidazolylmethyl)phenyl]-2-propenoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[4-(1-Imidazolylmethyl)phenyl]-2-propenoic acid?
Yes, CoreyChem provides custom synthesis services for 3-[4-(1-Imidazolylmethyl)phenyl]-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.