TL;DR: Fascaplysine (CAS 114719-57-2) is a chemical compound with molecular formula C18H11ClN2O and molecular weight 306.056 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-aza-13-azoniapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-20-one chloride
Also Known As: Fascaplysin, Fascaplysine, Fascaplysin chloride, Fascaplisine, Fascaplysin, Synthetic
| Molecular Formula | C18H11ClN2O |
| Molecular Weight | 306.056 g/mol |
| XLogP | 0.15 |
| Topological Polar Surface Area (TPSA) | 36.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 306.056 Da |
| Heavy Atoms | 22 |
| Complexity | 450.0 |
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C4=[N+](C=C3)C5=CC=CC=C5C4=O.[Cl-] |
| InChIKey | PWUOOJVYZQILBG-UHFFFAOYSA-N |
The XLogP value of 0.15 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fascaplysine. With a topological polar surface area (TPSA) of 36.7 Ų, Fascaplysine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Fascaplysine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Fascaplysine is 114719-57-2.
The molecular formula of Fascaplysine is C18H11ClN2O.
The molecular weight of Fascaplysine is 306.056 g/mol.
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