Daphnetin
TL;DR: Daphnetin (CAS 106754-20-5) is a chemical compound with molecular formula C9H6O4 and molecular weight 178.02661 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7,8-dihydroxychromen-2-one
Also Known As: daphnetin, 7,8-Dihydroxycoumarin, Daphnetol, 7,8-Dihydroxy-2H-chromen-2-one, 7,8-dihydroxychromen-2-one
Technical Specifications
| Molecular Formula | C9H6O4 |
| Molecular Weight | 178.02661 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.02661 Da |
| Heavy Atoms | 13 |
| Complexity | 248.0 |
| SMILES | C1=CC(=C(C2=C1C=CC(=O)O2)O)O |
| InChIKey | ATEFPOUAMCWAQS-UHFFFAOYSA-N |
Chemical Property Profile of Daphnetin
Property Insights of Daphnetin
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Daphnetin. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Daphnetin. Following Lipinski's Rule of Five, Daphnetin has 2 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 Daphnetin?
The CAS number of Daphnetin is 106754-20-5.
What is the molecular formula of Daphnetin?
The molecular formula of Daphnetin is C9H6O4.
What is the molecular weight of Daphnetin?
The molecular weight of Daphnetin is 178.02661 g/mol.
Where can I buy Daphnetin?
You can request a quote for Daphnetin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Daphnetin?
Yes, CoreyChem provides custom synthesis services for Daphnetin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.