6-Acetyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
TL;DR: 6-Acetyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one (CAS 16555-98-9) is a chemical compound with molecular formula C12H10O4 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-acetyl-7-hydroxy-4-methylchromen-2-one
Also Known As: 6-ACETYL-7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE, 6-acetyl-7-hydroxy-4-methylchromen-2-one, 2H-1-Benzopyran-2-one, 6-acetyl-7-hydroxy-4-methyl-, Sodium Cromoglicate Impurity 34, 6-Acetyl-7-hydroxy-4-methylcoumarin
| Molecular Formula | C12H10O4 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 2.00962 |
| Topological Polar Surface Area | 67.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.0579 |
| Heavy Atoms | 16 |
| Complexity | 637.2442 |
Chemical Identifiers
| CAS Number | 16555-98-9 |
|---|---|
| SMILES | CC1=CC(=O)OC2=CC(=C(C=C12)C(=O)C)O |
Product Overview
6-Acetyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one (CAS 16555-98-9), with molecular formula C12H10O4 and molecular weight 218.06 g/mol. IUPAC: 6-acetyl-7-hydroxy-4-methylchromen-2-one.
Chemical Property Profile of 6-Acetyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Property Insights of 6-Acetyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
The XLogP value of 2.00962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Acetyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one. The TPSA of 67.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Acetyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one. Following Lipinski's Rule of Five, 6-Acetyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one 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
Frequently Asked Questions
What is the CAS number of 6-Acetyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one?
The CAS number of 6-Acetyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one is 16555-98-9.
What is the molecular formula of 6-Acetyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one?
The molecular formula of 6-Acetyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one is C12H10O4.
What is the molecular weight of 6-Acetyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one?
The molecular weight of 6-Acetyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one is 218.06 g/mol.
Where can I buy 6-Acetyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one?
You can request a quote for 6-Acetyl-7-hydroxy-4-methyl-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 6-Acetyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Acetyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.