Hippuric Acid
TL;DR: Hippuric Acid (CAS 495-69-2) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.05824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzamidoacetic acid
Also Known As: Hippuric acid, N-Benzoylglycine, 2-Benzamidoacetic acid, Benzoylglycine, hippurate
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9NO3 |
| Molecular Weight | 179.05824 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.05824 Da |
| Heavy Atoms | 13 |
| Complexity | 197.0 |
| Melting Point | 187 - 191 °C |
| Vapor Pressure | 0.00000076 [mmHg] |
| Solubility | 3.75 mg/mL |
| SMILES | C1=CC=C(C=C1)C(=O)NCC(=O)O |
| InChIKey | QIAFMBKCNZACKA-UHFFFAOYSA-N |
Product Description
Applications: Hippuric 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Hippuric Acid (CAS 495-69-2) is a pharmaceutical intermediate with the molecular formula C9H9NO3 and a molecular weight of 179.06 g/mol. Key physical properties include a solubility: 3.75 mg/mL. Synonyms include Hippuric acid and N-Benzoylglycine.
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 Hippuric Acid
Property Insights of Hippuric Acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hippuric Acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Hippuric Acid. Following Lipinski's Rule of Five, Hippuric 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 Hippuric Acid?
The CAS number of Hippuric Acid is 495-69-2.
What is the molecular formula of Hippuric Acid?
The molecular formula of Hippuric Acid is C9H9NO3.
What is the molecular weight of Hippuric Acid?
The molecular weight of Hippuric Acid is 179.05824 g/mol.
What are the applications of Hippuric Acid?
Hippuric 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. Available from CoreyChem as both catalog item and...
Where can I buy Hippuric Acid?
You can request a quote for Hippuric Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hippuric Acid?
Yes, CoreyChem provides custom synthesis services for Hippuric Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.