5-Oxo-5,6,7,8-tetrahydrocoumarin
TL;DR: 5-Oxo-5,6,7,8-tetrahydrocoumarin (CAS 127040-30-6) is a chemical compound with molecular formula C9H8O3 and molecular weight 164.04735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7,8-dihydro-6H-chromene-2,5-dione
Also Known As: 5-oxo-5,6,7,8-tetrahydrocoumarin, 7,8-dihydro-6H-chromene-2,5-dione, 5,6,7,8-tetrahydro-2H-chromene-2,5-dione
Technical Specifications
| Molecular Formula | C9H8O3 |
| Molecular Weight | 164.04735 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.04735 Da |
| Heavy Atoms | 12 |
| Complexity | 310.0 |
| SMILES | C1CC2=C(C=CC(=O)O2)C(=O)C1 |
| InChIKey | DRBKMNABJCTLAC-UHFFFAOYSA-N |
Chemical Property Profile of 5-Oxo-5,6,7,8-tetrahydrocoumarin
Property Insights of 5-Oxo-5,6,7,8-tetrahydrocoumarin
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Oxo-5,6,7,8-tetrahydrocoumarin. With a topological polar surface area (TPSA) of 43.4 Ų, 5-Oxo-5,6,7,8-tetrahydrocoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Oxo-5,6,7,8-tetrahydrocoumarin has 0 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 5-Oxo-5,6,7,8-tetrahydrocoumarin?
The CAS number of 5-Oxo-5,6,7,8-tetrahydrocoumarin is 127040-30-6.
What is the molecular formula of 5-Oxo-5,6,7,8-tetrahydrocoumarin?
The molecular formula of 5-Oxo-5,6,7,8-tetrahydrocoumarin is C9H8O3.
What is the molecular weight of 5-Oxo-5,6,7,8-tetrahydrocoumarin?
The molecular weight of 5-Oxo-5,6,7,8-tetrahydrocoumarin is 164.04735 g/mol.
Where can I buy 5-Oxo-5,6,7,8-tetrahydrocoumarin?
You can request a quote for 5-Oxo-5,6,7,8-tetrahydrocoumarin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Oxo-5,6,7,8-tetrahydrocoumarin?
Yes, CoreyChem provides custom synthesis services for 5-Oxo-5,6,7,8-tetrahydrocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.