TL;DR: Prostephanaberrine (CAS 115610-39-4) is a chemical compound with molecular formula C19H21NO5 and molecular weight 343.14197 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,11S,13S)-11-hydroxy-15-methoxy-20-methyl-5,7-dioxa-20-azapentacyclo[11.4.3.01,13.02,10.04,8]icosa-2,4(8),9,15-tetraen-14-one
Also Known As: Prostephanaberrine, (-)-Prostephanaberrine, KST-1A0732, HY-N1545, N-(azetidin-3-yl)methanesulfonamide
| Molecular Formula | C19H21NO5 |
| Molecular Weight | 343.14197 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 68.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 343.14197 Da |
| Heavy Atoms | 25 |
| Complexity | 635.0 |
| SMILES | CN1CC[C@@]23[C@@]1(C[C@@H](C4=CC5=C(C=C42)OCO5)O)C(=O)C(=CC3)OC |
| InChIKey | AFTBFIOTWHPFTG-MJXNMMHHSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prostephanaberrine. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Prostephanaberrine. Following Lipinski's Rule of Five, Prostephanaberrine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Prostephanaberrine is 115610-39-4.
The molecular formula of Prostephanaberrine is C19H21NO5.
The molecular weight of Prostephanaberrine is 343.14197 g/mol.
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