4H-1-Benzopyran-4-one, 5-acetyl-7-hydroxy-2-methyl-
TL;DR: 4H-1-Benzopyran-4-one, 5-acetyl-7-hydroxy-2-methyl- (CAS 94356-33-9) 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.
5-acetyl-7-hydroxy-2-methylchromen-4-one
Also Known As: 5-acetyl-7-hydroxy-2-methylchromen-4-one, 5-Acetyl-7-hydroxy-2-methyl-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 5-acetyl-7-hydroxy-2-methyl-, 5-Acetyl-7-hydroxy-2-methylbenzopyran-gamma-one, 4H-1-Benzopyran-4-one,5-acetyl-7-hydroxy-2-methyl
| 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 | 631.9942 |
Chemical Identifiers
| CAS Number | 94356-33-9 |
|---|---|
| SMILES | CC1=CC(=O)C2=C(C=C(C=C2O1)O)C(=O)C |
Product Overview
4H-1-Benzopyran-4-one, 5-acetyl-7-hydroxy-2-methyl- (CAS 94356-33-9), with molecular formula C12H10O4 and molecular weight 218.06 g/mol. IUPAC: 5-acetyl-7-hydroxy-2-methylchromen-4-one.
Chemical Property Profile of 4H-1-Benzopyran-4-one, 5-acetyl-7-hydroxy-2-methyl-
Property Insights of 4H-1-Benzopyran-4-one, 5-acetyl-7-hydroxy-2-methyl-
The XLogP value of 2.00962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzopyran-4-one, 5-acetyl-7-hydroxy-2-methyl-. The TPSA of 67.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1-Benzopyran-4-one, 5-acetyl-7-hydroxy-2-methyl-. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 5-acetyl-7-hydroxy-2-methyl- 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 4H-1-Benzopyran-4-one, 5-acetyl-7-hydroxy-2-methyl-?
The CAS number of 4H-1-Benzopyran-4-one, 5-acetyl-7-hydroxy-2-methyl- is 94356-33-9.
What is the molecular formula of 4H-1-Benzopyran-4-one, 5-acetyl-7-hydroxy-2-methyl-?
The molecular formula of 4H-1-Benzopyran-4-one, 5-acetyl-7-hydroxy-2-methyl- is C12H10O4.
What is the molecular weight of 4H-1-Benzopyran-4-one, 5-acetyl-7-hydroxy-2-methyl-?
The molecular weight of 4H-1-Benzopyran-4-one, 5-acetyl-7-hydroxy-2-methyl- is 218.06 g/mol.
Where can I buy 4H-1-Benzopyran-4-one, 5-acetyl-7-hydroxy-2-methyl-?
You can request a quote for 4H-1-Benzopyran-4-one, 5-acetyl-7-hydroxy-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1-Benzopyran-4-one, 5-acetyl-7-hydroxy-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-4-one, 5-acetyl-7-hydroxy-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.