TL;DR: 3-(3,4-Dihydroxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one (CAS 152340-67-5) is a chemical compound with molecular formula C16H14O5 and molecular weight 286.08414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,4-dihydroxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
Also Known As: Calythropsin, 3-(3,4-dihydroxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
| Molecular Formula | C16H14O5 |
| Molecular Weight | 286.08414 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.08414 Da |
| Heavy Atoms | 21 |
| Complexity | 381.0 |
| SMILES | COC1=CC(=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)O)O)O |
| InChIKey | IULVGTQOZKYHCS-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 3-(3,4-Dihydroxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-Dihydroxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one. Following Lipinski's Rule of Five, 3-(3,4-Dihydroxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(3,4-Dihydroxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one is 152340-67-5.
The molecular formula of 3-(3,4-Dihydroxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one is C16H14O5.
The molecular weight of 3-(3,4-Dihydroxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one is 286.08414 g/mol.
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