TL;DR: Cholest-5-en-3-ol (3beta)-, 3-((2,3-dihydro-2-furanyl)methyl carbonate) (CAS 62778-26-1) is a chemical compound with molecular formula C33H50O4 and molecular weight 510.3709 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] furan-2-ylmethyl carbonate
Also Known As: Cholesteryl furfuryl carbonate, KST-1A7037, Cholest-5-en-3-ol (3beta)-, (2,3-dihydro-2-furanyl)methyl carbonate, (3, A)-cholest-5-en-3-yl furan-2-ylmethyl carbonate
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C33H50O4 |
| Molecular Weight | 510.3709 g/mol |
| XLogP | 10.1 |
| Topological Polar Surface Area (TPSA) | 48.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 510.3709 Da |
| Heavy Atoms | 37 |
| Complexity | 834.0 |
| 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)OCC5=CC=CO5)C)C |
| InChIKey | RNUQFRVNIDGYDD-CXCXXFILSA-N |
The XLogP value of 10.1 indicates that Cholest-5-en-3-ol (3beta)-, 3-((2,3-dihydro-2-furanyl)methyl carbonate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.7 Ų, Cholest-5-en-3-ol (3beta)-, 3-((2,3-dihydro-2-furanyl)methyl carbonate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholest-5-en-3-ol (3beta)-, 3-((2,3-dihydro-2-furanyl)methyl carbonate) has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Cholest-5-en-3-ol (3beta)-, 3-((2,3-dihydro-2-furanyl)methyl carbonate) is 62778-26-1.
The molecular formula of Cholest-5-en-3-ol (3beta)-, 3-((2,3-dihydro-2-furanyl)methyl carbonate) is C33H50O4.
The molecular weight of Cholest-5-en-3-ol (3beta)-, 3-((2,3-dihydro-2-furanyl)methyl carbonate) is 510.3709 g/mol.
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