3-acetyl-7-hydroxy-2-methyl-4H-chromen-4-one
TL;DR: 3-acetyl-7-hydroxy-2-methyl-4H-chromen-4-one (CAS 52751-46-9) 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.
3-acetyl-7-hydroxy-2-methylchromen-4-one
Also Known As: 3-acetyl-7-hydroxy-2-methyl-4H-chromen-4-one, 2-Methyl-3-acetyl-7-oxychromon, 3-acetyl-7-hydroxy-2-methylchromen-4-one, 3-acetyl-7-hydroxy-2-methyl-4-oxochromene, 3-acetyl-7-hydroxy-2-methyl-chromen-4-one
| 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 | 52751-46-9 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)C(=O)C |
Product Overview
3-acetyl-7-hydroxy-2-methyl-4H-chromen-4-one (CAS 52751-46-9), with molecular formula C12H10O4 and molecular weight 218.06 g/mol. IUPAC: 3-acetyl-7-hydroxy-2-methylchromen-4-one.
Chemical Property Profile of 3-acetyl-7-hydroxy-2-methyl-4H-chromen-4-one
Property Insights of 3-acetyl-7-hydroxy-2-methyl-4H-chromen-4-one
The XLogP value of 2.00962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-acetyl-7-hydroxy-2-methyl-4H-chromen-4-one. The TPSA of 67.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-acetyl-7-hydroxy-2-methyl-4H-chromen-4-one. Following Lipinski's Rule of Five, 3-acetyl-7-hydroxy-2-methyl-4H-chromen-4-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 3-acetyl-7-hydroxy-2-methyl-4H-chromen-4-one?
The CAS number of 3-acetyl-7-hydroxy-2-methyl-4H-chromen-4-one is 52751-46-9.
What is the molecular formula of 3-acetyl-7-hydroxy-2-methyl-4H-chromen-4-one?
The molecular formula of 3-acetyl-7-hydroxy-2-methyl-4H-chromen-4-one is C12H10O4.
What is the molecular weight of 3-acetyl-7-hydroxy-2-methyl-4H-chromen-4-one?
The molecular weight of 3-acetyl-7-hydroxy-2-methyl-4H-chromen-4-one is 218.06 g/mol.
Where can I buy 3-acetyl-7-hydroxy-2-methyl-4H-chromen-4-one?
You can request a quote for 3-acetyl-7-hydroxy-2-methyl-4H-chromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-acetyl-7-hydroxy-2-methyl-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-7-hydroxy-2-methyl-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.