2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
TL;DR: 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid (CAS 518-45-6) is a chemical compound with molecular formula C20H12O5 and molecular weight 332.06848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
Also Known As: fluorescein, Fluoresceine, flourescein, Fluorescin, Fluorescite
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H12O5 |
| Molecular Weight | 332.06848 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.06848 Da |
| Heavy Atoms | 25 |
| Complexity | 686.0 |
| SMILES | C1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O |
| InChIKey | YKGGGCXBWXHKIZ-UHFFFAOYSA-N |
Product Description
Applications: 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic 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).
A pharmaceutical intermediate supplied by CoreyChem, 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid (CAS 518-45-6) has the molecular formula C20H12O5 and a molecular weight of 332.07 g/mol. Synonyms include fluorescein and Fluoresceine.
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 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
Property Insights of 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid. Following Lipinski's Rule of Five, 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid?
The CAS number of 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid is 518-45-6.
What is the molecular formula of 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid?
The molecular formula of 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid is C20H12O5.
What is the molecular weight of 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid?
The molecular weight of 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid is 332.06848 g/mol.
What are the applications of 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid?
2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic 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...
Where can I buy 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid?
You can request a quote for 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.