Umbelliferone
TL;DR: Umbelliferone (CAS 142044-47-1) is a chemical compound with molecular formula C9H6O3 and molecular weight 162.0317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-hydroxychromen-2-one
Also Known As: Umbelliferone, 7-hydroxycoumarin, Skimmetin, Hydrangin, Skimmetine
Technical Specifications
| Molecular Formula | C9H6O3 |
| Molecular Weight | 162.0317 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.0317 Da |
| Heavy Atoms | 12 |
| Complexity | 222.0 |
| SMILES | C1=CC(=CC2=C1C=CC(=O)O2)O |
| InChIKey | ORHBXUUXSCNDEV-UHFFFAOYSA-N |
Chemical Property Profile of Umbelliferone
Property Insights of Umbelliferone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Umbelliferone. With a topological polar surface area (TPSA) of 46.5 Ų, Umbelliferone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Umbelliferone has 1 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 Umbelliferone?
The CAS number of Umbelliferone is 142044-47-1.
What is the molecular formula of Umbelliferone?
The molecular formula of Umbelliferone is C9H6O3.
What is the molecular weight of Umbelliferone?
The molecular weight of Umbelliferone is 162.0317 g/mol.
Where can I buy Umbelliferone?
You can request a quote for Umbelliferone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Umbelliferone?
Yes, CoreyChem provides custom synthesis services for Umbelliferone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.