Chemical Property of 16-Dehydropregnenolone
Chemical Property:
- Vapor Pressure:2.96E-10mmHg at 25°C
- Melting Point:212-214 °C
- Boiling Point:456.6 °C at 760 mmHg
- PKA:14.70±0.70(Predicted)
- Flash Point:194.4 °C
- PSA：37.30000
- Density:1.11 g/cm3
- LogP:4.43540
- Storage Temp.:-20°C Freezer, Under inert atmosphere
- Solubility.:Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Sonicated)
- XLogP3:3.9
- Hydrogen Bond Donor Count:1
- Hydrogen Bond Acceptor Count:2
- Rotatable Bond Count:1
- Exact Mass:314.224580195
- Heavy Atom Count:23
- Complexity:601
- Purity/Quality:
-
97% *data from raw suppliers
16-Dehydropregnolone *data from reagent suppliers
Safty Information:
- Pictogram(s):
Xn
- Hazard Codes:Xn
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC(=O)C1=CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
- Isomeric SMILES:CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
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General Description
16-Dehydropregnenolone is a steroidal compound with a 5,16-pregnadiene-20-one skeleton, serving as a key intermediate in the synthesis of various biologically active steroids. It has been utilized in the microwave-assisted stereoselective synthesis of D-ring-fused 2-pyrazolines with potential antiproliferative effects against cancer cell lines. Additionally, its derivatives, such as phenyl esters, have been explored for their inhibitory potential against 17α-hydroxylase and 5α-reductase enzymes, as well as their utility in producing steroidal drugs. 16-Dehydropregnenolone has also been employed in the stereoselective synthesis of unnatural C(20R) steroidal aldehydes via ionic hydrogenation. These applications highlight its versatility as a precursor in medicinal chemistry and steroid synthesis.
