4H-1-Benzopyran-4-one, 3-acetyl-5,7-dihydroxy-2-methyl-
TL;DR: 4H-1-Benzopyran-4-one, 3-acetyl-5,7-dihydroxy-2-methyl- (CAS 1022-78-2) is a chemical compound with molecular formula C12H10O5 and molecular weight 234.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-5,7-dihydroxy-2-methylchromen-4-one
Also Known As: 3-acetyl-5,7-dihydroxy-2-methylchromen-4-one, 4H-1-Benzopyran-4-one, 3-acetyl-5,7-dihydroxy-2-methyl-, 3-Acetyl-5,7-dihydroxy-2-methyl-4H-chromen-4-one, 3-acetyl-5,7-dihydroxy-2-methylchromone, Chromone, 3-acetyl-5,7-dihydroxy-2-methyl-
| Molecular Formula | C12H10O5 |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 1.71522 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.05283 |
| Heavy Atoms | 17 |
| Complexity | 681.33594 |
Chemical Identifiers
| CAS Number | 1022-78-2 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C=C(C=C2O1)O)O)C(=O)C |
Product Overview
4H-1-Benzopyran-4-one, 3-acetyl-5,7-dihydroxy-2-methyl- (CAS 1022-78-2), with molecular formula C12H10O5 and molecular weight 234.05 g/mol. IUPAC: 3-acetyl-5,7-dihydroxy-2-methylchromen-4-one.
Chemical Property Profile of 4H-1-Benzopyran-4-one, 3-acetyl-5,7-dihydroxy-2-methyl-
Property Insights of 4H-1-Benzopyran-4-one, 3-acetyl-5,7-dihydroxy-2-methyl-
The XLogP value of 1.71522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzopyran-4-one, 3-acetyl-5,7-dihydroxy-2-methyl-. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1-Benzopyran-4-one, 3-acetyl-5,7-dihydroxy-2-methyl-. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 3-acetyl-5,7-dihydroxy-2-methyl- has 2 hydrogen bond donor(s) and 5 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, 3-acetyl-5,7-dihydroxy-2-methyl-?
The CAS number of 4H-1-Benzopyran-4-one, 3-acetyl-5,7-dihydroxy-2-methyl- is 1022-78-2.
What is the molecular formula of 4H-1-Benzopyran-4-one, 3-acetyl-5,7-dihydroxy-2-methyl-?
The molecular formula of 4H-1-Benzopyran-4-one, 3-acetyl-5,7-dihydroxy-2-methyl- is C12H10O5.
What is the molecular weight of 4H-1-Benzopyran-4-one, 3-acetyl-5,7-dihydroxy-2-methyl-?
The molecular weight of 4H-1-Benzopyran-4-one, 3-acetyl-5,7-dihydroxy-2-methyl- is 234.05 g/mol.
Where can I buy 4H-1-Benzopyran-4-one, 3-acetyl-5,7-dihydroxy-2-methyl-?
You can request a quote for 4H-1-Benzopyran-4-one, 3-acetyl-5,7-dihydroxy-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, 3-acetyl-5,7-dihydroxy-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-4-one, 3-acetyl-5,7-dihydroxy-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.