TL;DR: alpha-Cyano-4-chloro-3',4'-dihydroxystilbene (CAS 160005-44-7) is a chemical compound with molecular formula C15H10ClNO2 and molecular weight 271.04 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
Also Known As: alpha-cyano-4-chloro-3',4'-dihydroxystilbene, 2-(4-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile, 4-Chloro-I+/--[(3,4-dihydroxyphenyl)methylene]benzeneacetonitrile
| Molecular Formula | C15H10ClNO2 |
| Molecular Weight | 271.04 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 64.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.04 Da |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
| SMILES | C1=CC(=CC=C1C(=CC2=CC(=C(C=C2)O)O)C#N)Cl |
| InChIKey | AVEAJLIUFNKMPU-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that alpha-Cyano-4-chloro-3',4'-dihydroxystilbene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Cyano-4-chloro-3',4'-dihydroxystilbene. Following Lipinski's Rule of Five, alpha-Cyano-4-chloro-3',4'-dihydroxystilbene has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of alpha-Cyano-4-chloro-3',4'-dihydroxystilbene is 160005-44-7.
The molecular formula of alpha-Cyano-4-chloro-3',4'-dihydroxystilbene is C15H10ClNO2.
The molecular weight of alpha-Cyano-4-chloro-3',4'-dihydroxystilbene is 271.04 g/mol.
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