TL;DR: cinchonan-9-ol, 10,11-dihydro-, (8-alpha,9r)-, sulfate (1:1) (salt) (CAS 78848-93-8) is a chemical compound with molecular formula C19H26N2O5S and molecular weight 394.15625 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(S)-[(2R)-5-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;hydrogen sulfate
Also Known As: Hydrocinchonidine sulfate, Dihydrocinchonidine Sulphate, Dihydrocinchonidine acid sulphate, dihydrocinchonidine sulfate, CINCHONAN-9-OL, 10,11-DIHYDRO-, (8-alpha,9R)-, SULFATE (1:1) (salt)
| Molecular Formula | C19H26N2O5S |
| Molecular Weight | 394.15625 g/mol |
| XLogP | 0.98 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.15625 Da |
| Heavy Atoms | 27 |
| Complexity | 464.0 |
| SMILES | CCC1C[NH+]2CCC1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)O.OS(=O)(=O)[O-] |
| InChIKey | JFIOPOZLTMPEKO-RSCAGPRVSA-N |
The XLogP value of 0.98 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cinchonan-9-ol, 10,11-dihydro-, (8-alpha,9r)-, sulfate (1:1) (salt). The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for cinchonan-9-ol, 10,11-dihydro-, (8-alpha,9r)-, sulfate (1:1) (salt). Following Lipinski's Rule of Five, cinchonan-9-ol, 10,11-dihydro-, (8-alpha,9r)-, sulfate (1:1) (salt) has 3 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 cinchonan-9-ol, 10,11-dihydro-, (8-alpha,9r)-, sulfate (1:1) (salt) is 78848-93-8.
The molecular formula of cinchonan-9-ol, 10,11-dihydro-, (8-alpha,9r)-, sulfate (1:1) (salt) is C19H26N2O5S.
The molecular weight of cinchonan-9-ol, 10,11-dihydro-, (8-alpha,9r)-, sulfate (1:1) (salt) is 394.15625 g/mol.
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