5-Hydroxy-3,4,7-trimethyl-2H-chromen-2-one
TL;DR: 5-Hydroxy-3,4,7-trimethyl-2H-chromen-2-one (CAS 107057-96-5) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-hydroxy-3,4,7-trimethylchromen-2-one
Also Known As: 5-HYDROXY-3,4,7-TRIMETHYL-2H-CHROMEN-2-ONE, 5-hydroxy-3,4,7-trimethylchromen-2-one, CHEMBRDG-BB 7109536, 5-hydroxy-3,4,7-trimethylcoumarin, 3,4,7-Trimethyl-5-hydroxycoumarin
Technical Specifications
| Molecular Formula | C12H12O3 |
| Molecular Weight | 204.07864 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.07864 Da |
| Heavy Atoms | 15 |
| Complexity | 319.0 |
| SMILES | CC1=CC(=C2C(=C(C(=O)OC2=C1)C)C)O |
| InChIKey | HMTPJAGDJGBKEB-UHFFFAOYSA-N |
Chemical Property Profile of 5-Hydroxy-3,4,7-trimethyl-2H-chromen-2-one
Property Insights of 5-Hydroxy-3,4,7-trimethyl-2H-chromen-2-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hydroxy-3,4,7-trimethyl-2H-chromen-2-one. With a topological polar surface area (TPSA) of 46.5 Ų, 5-Hydroxy-3,4,7-trimethyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hydroxy-3,4,7-trimethyl-2H-chromen-2-one 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 5-Hydroxy-3,4,7-trimethyl-2H-chromen-2-one?
The CAS number of 5-Hydroxy-3,4,7-trimethyl-2H-chromen-2-one is 107057-96-5.
What is the molecular formula of 5-Hydroxy-3,4,7-trimethyl-2H-chromen-2-one?
The molecular formula of 5-Hydroxy-3,4,7-trimethyl-2H-chromen-2-one is C12H12O3.
What is the molecular weight of 5-Hydroxy-3,4,7-trimethyl-2H-chromen-2-one?
The molecular weight of 5-Hydroxy-3,4,7-trimethyl-2H-chromen-2-one is 204.07864 g/mol.
Where can I buy 5-Hydroxy-3,4,7-trimethyl-2H-chromen-2-one?
You can request a quote for 5-Hydroxy-3,4,7-trimethyl-2H-chromen-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Hydroxy-3,4,7-trimethyl-2H-chromen-2-one?
Yes, CoreyChem provides custom synthesis services for 5-Hydroxy-3,4,7-trimethyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.