3-Acetyl-6-methylpyran-2,4-dione;3-(3,4-dihydroxyphenyl)prop-2-enoic acid
TL;DR: 3-Acetyl-6-methylpyran-2,4-dione;3-(3,4-dihydroxyphenyl)prop-2-enoic acid (CAS 109761-28-6) is a chemical compound with molecular formula C17H16O8 and molecular weight 348.0845 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-acetyl-6-methylpyran-2,4-dione;3-(3,4-dihydroxyphenyl)prop-2-enoic acid
Also Known As: Caffeic acid-dehydroacetic acid mixt., Caffeic acid - dehydroacetic acid mixt., 3-acetyl-6-methyl-pyran-2,4-dione; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
Technical Specifications
| Molecular Formula | C17H16O8 |
| Molecular Weight | 348.0845 g/mol |
| XLogP | 1.4169 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.0845 Da |
| Heavy Atoms | 25 |
| Complexity | 499.0 |
| SMILES | CC1=CC(=O)C(C(=O)O1)C(=O)C.C1=CC(=C(C=C1C=CC(=O)O)O)O |
| InChIKey | UDAXBQBVXVLOHL-UHFFFAOYSA-N |
Chemical Property Profile of 3-Acetyl-6-methylpyran-2,4-dione;3-(3,4-dihydroxyphenyl)prop-2-enoic acid
Property Insights of 3-Acetyl-6-methylpyran-2,4-dione;3-(3,4-dihydroxyphenyl)prop-2-enoic acid
The XLogP value of 1.4169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-6-methylpyran-2,4-dione;3-(3,4-dihydroxyphenyl)prop-2-enoic acid. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetyl-6-methylpyran-2,4-dione;3-(3,4-dihydroxyphenyl)prop-2-enoic acid. Following Lipinski's Rule of Five, 3-Acetyl-6-methylpyran-2,4-dione;3-(3,4-dihydroxyphenyl)prop-2-enoic acid has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Acetyl-6-methylpyran-2,4-dione;3-(3,4-dihydroxyphenyl)prop-2-enoic acid?
The CAS number of 3-Acetyl-6-methylpyran-2,4-dione;3-(3,4-dihydroxyphenyl)prop-2-enoic acid is 109761-28-6.
What is the molecular formula of 3-Acetyl-6-methylpyran-2,4-dione;3-(3,4-dihydroxyphenyl)prop-2-enoic acid?
The molecular formula of 3-Acetyl-6-methylpyran-2,4-dione;3-(3,4-dihydroxyphenyl)prop-2-enoic acid is C17H16O8.
What is the molecular weight of 3-Acetyl-6-methylpyran-2,4-dione;3-(3,4-dihydroxyphenyl)prop-2-enoic acid?
The molecular weight of 3-Acetyl-6-methylpyran-2,4-dione;3-(3,4-dihydroxyphenyl)prop-2-enoic acid is 348.0845 g/mol.
Where can I buy 3-Acetyl-6-methylpyran-2,4-dione;3-(3,4-dihydroxyphenyl)prop-2-enoic acid?
You can request a quote for 3-Acetyl-6-methylpyran-2,4-dione;3-(3,4-dihydroxyphenyl)prop-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Acetyl-6-methylpyran-2,4-dione;3-(3,4-dihydroxyphenyl)prop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Acetyl-6-methylpyran-2,4-dione;3-(3,4-dihydroxyphenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.