TL;DR: Yibeissine (CAS 143502-51-6) is a chemical compound with molecular formula C27H41NO4 and molecular weight 443.30356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,3'R,3'aS,4aS,6'S,6aS,6bS,7'aR,9R,11R,11aS,11bR)-3,11-dihydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,6,6a,6b,7,8,11,11a-dodecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-5-one
Also Known As: Yibeissine, Veratraman-6(5H)-one, 17,23-epoxy-3,11-dihydroxy-, (3beta,5alpha,11beta,23beta)-, 3,11-Dihydroxy-5,6-dihydro-17,23-epoxyveratraman-6-one, (3S,3'R,3'aS,4aS,6'S,6aS,6bS,7'aR,9R,11R,11aS,11bR)-3,11-dihydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,6,6a,6b,7,8,11,11a-dodecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-5-one, (22S,23R)-3beta,11beta-Dihydroxy-5alpha,17beta-5,6-dihydro-17,23-epoxyveratraman-6-one
| Molecular Formula | C27H41NO4 |
| Molecular Weight | 443.30356 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 78.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 443.30356 Da |
| Heavy Atoms | 32 |
| Complexity | 855.0 |
| SMILES | C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@H](CC[C@@]6([C@H]5[C@H](C4=C3C)O)C)O)C)NC1 |
| InChIKey | NURPXYQPDMVKOY-RUKZUWONSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Yibeissine. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Yibeissine. Following Lipinski's Rule of Five, Yibeissine 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 Yibeissine is 143502-51-6.
The molecular formula of Yibeissine is C27H41NO4.
The molecular weight of Yibeissine is 443.30356 g/mol.
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