urocanic acid
TL;DR: urocanic acid (CAS 104-98-3) is a chemical compound with molecular formula C6H6N2O2 and molecular weight 138.04292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1H-imidazol-5-yl)prop-2-enoic acid
Also Known As: urocanic acid, cis-Urocanic acid, Urocanicacid, Urocaninic acid, e-urocanic acid
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H6N2O2 |
| Molecular Weight | 138.04292 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 138.04292 Da |
| Heavy Atoms | 10 |
| Complexity | 156.0 |
| SMILES | C1=C(NC=N1)C=CC(=O)O |
| InChIKey | LOIYMIARKYCTBW-UHFFFAOYSA-N |
Product Description
Applications: urocanic 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 urocanic acid (CAS 104-98-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
urocanic acid (CAS 104-98-3) is a pharmaceutical intermediate with the molecular formula C6H6N2O2 and a molecular weight of 138.04 g/mol. It is also known as urocanic acid and cis-Urocanic acid.
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 urocanic acid
Property Insights of urocanic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for urocanic acid. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for urocanic acid. Following Lipinski's Rule of Five, urocanic 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 urocanic acid?
The CAS number of urocanic acid is 104-98-3.
What is the molecular formula of urocanic acid?
The molecular formula of urocanic acid is C6H6N2O2.
What is the molecular weight of urocanic acid?
The molecular weight of urocanic acid is 138.04292 g/mol.
What are the applications of urocanic acid?
urocanic 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 urocanic acid (CAS 104-98-3) with custom...
Where can I buy urocanic acid?
You can request a quote for urocanic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for urocanic acid?
Yes, CoreyChem provides custom synthesis services for urocanic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.