Homogentisic Acid
TL;DR: Homogentisic Acid (CAS 451-13-8) is a chemical compound with molecular formula C8H8O4 and molecular weight 168.04225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,5-dihydroxyphenyl)acetic acid
Also Known As: Homogentisic acid, Alcapton, 2,5-Dihydroxyphenylacetic acid, homogentisate, Homogentisinic acid
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H8O4 |
| Molecular Weight | 168.04225 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.04225 Da |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
| Melting Point | 153 °C |
| Vapor Pressure | 0.00000082 [mmHg] |
| Solubility | 850 mg/mL at 25 °C |
| SMILES | C1=CC(=C(C=C1O)CC(=O)O)O |
| InChIKey | IGMNYECMUMZDDF-UHFFFAOYSA-N |
Product Description
Applications: Homogentisic Acid is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. 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).
Homogentisic Acid (CAS 451-13-8) is a pharmaceutical intermediate with the molecular formula C8H8O4 and a molecular weight of 168.04 g/mol. Key physical properties include a solubility: 850 mg/mL at 25 °C. Synonyms include Homogentisic acid and Alcapton.
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 Homogentisic Acid
Property Insights of Homogentisic Acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Homogentisic Acid. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Homogentisic Acid. Following Lipinski's Rule of Five, Homogentisic Acid has 3 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 Homogentisic Acid?
The CAS number of Homogentisic Acid is 451-13-8.
What is the molecular formula of Homogentisic Acid?
The molecular formula of Homogentisic Acid is C8H8O4.
What is the molecular weight of Homogentisic Acid?
The molecular weight of Homogentisic Acid is 168.04225 g/mol.
What are the applications of Homogentisic Acid?
Homogentisic Acid is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to...
Where can I buy Homogentisic Acid?
You can request a quote for Homogentisic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Homogentisic Acid?
Yes, CoreyChem provides custom synthesis services for Homogentisic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.