TL;DR: Cholest-5-en-3-ol (3beta)-, 3-(3-phenyl-2-propen-1-yl carbonate) (CAS 62778-25-0) is a chemical compound with molecular formula C37H54O3 and molecular weight 546.4073 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-phenylprop-2-enyl carbonate
Also Known As: Cholest-5-en-3-ol (3beta)-, 3-phenyl-2-propenyl carbonate, Cholest-5-en-3-ol (3beta)-, 3-(3-phenyl-2-propen-1-yl carbonate), Cholest-5-en-3-ol (3.beta.)-, 3-phenyl-2-propenyl carbonate, Cholest-5-en-3beta-yl 3-phenylprop-2-en-1-yl carbonate, Carbonic acid 3-phenyl-2-propenyl cholest-5-en-3beta-yl ester
| Molecular Formula | C37H54O3 |
| Molecular Weight | 546.4073 g/mol |
| XLogP | 11.7 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 546.4073 Da |
| Heavy Atoms | 40 |
| Complexity | 912.0 |
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)OCC=CC5=CC=CC=C5)C)C |
| InChIKey | RNEHOONKLGPTNR-OTFXHNGLSA-N |
The XLogP value of 11.7 indicates that Cholest-5-en-3-ol (3beta)-, 3-(3-phenyl-2-propen-1-yl carbonate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Cholest-5-en-3-ol (3beta)-, 3-(3-phenyl-2-propen-1-yl carbonate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholest-5-en-3-ol (3beta)-, 3-(3-phenyl-2-propen-1-yl carbonate) has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Cholest-5-en-3-ol (3beta)-, 3-(3-phenyl-2-propen-1-yl carbonate) is 62778-25-0.
The molecular formula of Cholest-5-en-3-ol (3beta)-, 3-(3-phenyl-2-propen-1-yl carbonate) is C37H54O3.
The molecular weight of Cholest-5-en-3-ol (3beta)-, 3-(3-phenyl-2-propen-1-yl carbonate) is 546.4073 g/mol.
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