8-Hydroxy-3,4-dimethyl-1H-2-benzopyran-1-one
TL;DR: 8-Hydroxy-3,4-dimethyl-1H-2-benzopyran-1-one (CAS 1570-27-0) is a chemical compound with molecular formula C11H10O3 and molecular weight 190.06299 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-hydroxy-3,4-dimethylisochromen-1-one
Also Known As: Oospolactone, 8-Hydroxy-3,4-dimethyl-1H-2-benzopyran-1-one, ETHYL ISONICOTINATE, 8-hydroxy-3,4-dimethylisochromen-1-one, 3,4-dimethyl-8-hydroxyisocoumarin
Technical Specifications
| Molecular Formula | C11H10O3 |
| Molecular Weight | 190.06299 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.06299 Da |
| Heavy Atoms | 14 |
| Complexity | 293.0 |
| SMILES | CC1=C(OC(=O)C2=C1C=CC=C2O)C |
| InChIKey | BGAZGUQSJUQJTG-UHFFFAOYSA-N |
Chemical Property Profile of 8-Hydroxy-3,4-dimethyl-1H-2-benzopyran-1-one
Property Insights of 8-Hydroxy-3,4-dimethyl-1H-2-benzopyran-1-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Hydroxy-3,4-dimethyl-1H-2-benzopyran-1-one. With a topological polar surface area (TPSA) of 46.5 Ų, 8-Hydroxy-3,4-dimethyl-1H-2-benzopyran-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Hydroxy-3,4-dimethyl-1H-2-benzopyran-1-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 8-Hydroxy-3,4-dimethyl-1H-2-benzopyran-1-one?
The CAS number of 8-Hydroxy-3,4-dimethyl-1H-2-benzopyran-1-one is 1570-27-0.
What is the molecular formula of 8-Hydroxy-3,4-dimethyl-1H-2-benzopyran-1-one?
The molecular formula of 8-Hydroxy-3,4-dimethyl-1H-2-benzopyran-1-one is C11H10O3.
What is the molecular weight of 8-Hydroxy-3,4-dimethyl-1H-2-benzopyran-1-one?
The molecular weight of 8-Hydroxy-3,4-dimethyl-1H-2-benzopyran-1-one is 190.06299 g/mol.
Where can I buy 8-Hydroxy-3,4-dimethyl-1H-2-benzopyran-1-one?
You can request a quote for 8-Hydroxy-3,4-dimethyl-1H-2-benzopyran-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-Hydroxy-3,4-dimethyl-1H-2-benzopyran-1-one?
Yes, CoreyChem provides custom synthesis services for 8-Hydroxy-3,4-dimethyl-1H-2-benzopyran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.