Gentisin
TL;DR: Gentisin (CAS 131052-84-1) is a chemical compound with molecular formula C14H10O5 and molecular weight 258.05283 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,7-dihydroxy-3-methoxyxanthen-9-one
Also Known As: Gentisin, Gentianin, Gentisine, GENTIANIC ACID, Gentiin
Technical Specifications
| Molecular Formula | C14H10O5 |
| Molecular Weight | 258.05283 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.05283 Da |
| Heavy Atoms | 19 |
| Complexity | 358.0 |
| SMILES | COC1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)O |
| InChIKey | XOXYHGOIRWABTC-UHFFFAOYSA-N |
Chemical Property Profile of Gentisin
Property Insights of Gentisin
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gentisin. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Gentisin. Following Lipinski's Rule of Five, Gentisin 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 Gentisin?
The CAS number of Gentisin is 131052-84-1.
What is the molecular formula of Gentisin?
The molecular formula of Gentisin is C14H10O5.
What is the molecular weight of Gentisin?
The molecular weight of Gentisin is 258.05283 g/mol.
Where can I buy Gentisin?
You can request a quote for Gentisin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Gentisin?
Yes, CoreyChem provides custom synthesis services for Gentisin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.