5-Hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one
TL;DR: 5-Hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one (CAS 6335-27-9) is a chemical compound with molecular formula C11H10O3 and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-4,7-dimethylchromen-2-one
Also Known As: 5-hydroxy-4,7-dimethyl-2H-chromen-2-one, 5-hydroxy-4,7-dimethylchromen-2-one, 5-hydroxy-4,7-dimethylcoumarin, Coumarin, 4,7-dimethyl-5-hydroxy-, 4,7-dimethyl-5-hydroxycoumarin
| Molecular Formula | C11H10O3 |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 2.11544 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.06299 |
| Heavy Atoms | 14 |
| Complexity | 552.1966 |
Chemical Identifiers
| CAS Number | 6335-27-9 |
|---|---|
| SMILES | CC1=CC(=C2C(=CC(=O)OC2=C1)C)O |
Product Overview
5-Hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one (CAS 6335-27-9), with molecular formula C11H10O3 and molecular weight 190.06 g/mol. IUPAC: 5-hydroxy-4,7-dimethylchromen-2-one.
Chemical Property Profile of 5-Hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one
Property Insights of 5-Hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one
The XLogP value of 2.11544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one. With a topological polar surface area (TPSA) of 50.44 Ų, 5-Hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hydroxy-4,7-dimethyl-2H-1-benzopyran-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
Frequently Asked Questions
What is the CAS number of 5-Hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one?
The CAS number of 5-Hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one is 6335-27-9.
What is the molecular formula of 5-Hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one?
The molecular formula of 5-Hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one is C11H10O3.
What is the molecular weight of 5-Hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one?
The molecular weight of 5-Hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one is 190.06 g/mol.
Where can I buy 5-Hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one?
You can request a quote for 5-Hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.