6-Cyano-7-hydroxy-4,8-dimethylcoumarin
TL;DR: 6-Cyano-7-hydroxy-4,8-dimethylcoumarin (CAS 101994-23-4) is a chemical compound with molecular formula C12H9NO3 and molecular weight 215.05824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-hydroxy-4,8-dimethyl-2-oxochromene-6-carbonitrile
Also Known As: CHDMC, 6-Cyano-7-hydroxy-4,8-dimethylcoumarin, 7-hydroxy-4,8-dimethyl-2-oxochromene-6-carbonitrile, 2H-1-Benzopyran-6-carbonitrile,7-hydroxy-4,8-dimethyl-2-oxo-, 7-Hydroxy-4,8-dimethyl-2-oxo-2H-chromene-6-carbonitrile
Technical Specifications
| Molecular Formula | C12H9NO3 |
| Molecular Weight | 215.05824 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 70.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 215.05824 Da |
| Heavy Atoms | 16 |
| Complexity | 392.0 |
| SMILES | CC1=CC(=O)OC2=C1C=C(C(=C2C)O)C#N |
| InChIKey | XAZQZKKQXOIMAO-UHFFFAOYSA-N |
Chemical Property Profile of 6-Cyano-7-hydroxy-4,8-dimethylcoumarin
Property Insights of 6-Cyano-7-hydroxy-4,8-dimethylcoumarin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Cyano-7-hydroxy-4,8-dimethylcoumarin. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Cyano-7-hydroxy-4,8-dimethylcoumarin. Following Lipinski's Rule of Five, 6-Cyano-7-hydroxy-4,8-dimethylcoumarin has 1 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 6-Cyano-7-hydroxy-4,8-dimethylcoumarin?
The CAS number of 6-Cyano-7-hydroxy-4,8-dimethylcoumarin is 101994-23-4.
What is the molecular formula of 6-Cyano-7-hydroxy-4,8-dimethylcoumarin?
The molecular formula of 6-Cyano-7-hydroxy-4,8-dimethylcoumarin is C12H9NO3.
What is the molecular weight of 6-Cyano-7-hydroxy-4,8-dimethylcoumarin?
The molecular weight of 6-Cyano-7-hydroxy-4,8-dimethylcoumarin is 215.05824 g/mol.
Where can I buy 6-Cyano-7-hydroxy-4,8-dimethylcoumarin?
You can request a quote for 6-Cyano-7-hydroxy-4,8-dimethylcoumarin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Cyano-7-hydroxy-4,8-dimethylcoumarin?
Yes, CoreyChem provides custom synthesis services for 6-Cyano-7-hydroxy-4,8-dimethylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.