TL;DR: RS 59022-198 (CAS 141839-02-3) is a chemical compound with molecular formula C28H42Cl2N2O4 and molecular weight 540.25214 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzyl-1-[6-(2-benzyl-3,4-dihydroxypyrrolidin-1-yl)hexyl]pyrrolidine-3,4-diol;dihydrochloride
Also Known As: RS 59022-198, RS-59022-198, 1,6-Bis(3,4-dihydroxy-2-benzylpyrrolidine)hexane, 3,4-Pyrrolidinediol, 1,1'-(1,6-hexanediyl)bis(2-(phenylmethyl)-, dihydrochloride, 1,1'-(Hexane-1,6-diyl)bis(2-benzylpyrrolidine-3,4-diol)--hydrogen chloride (1/2)
| Molecular Formula | C28H42Cl2N2O4 |
| Molecular Weight | 540.25214 g/mol |
| XLogP | 2.6878 |
| Topological Polar Surface Area (TPSA) | 87.4 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 540.25214 Da |
| Heavy Atoms | 36 |
| Complexity | 531.0 |
| SMILES | C1C(C(C(N1CCCCCCN2CC(C(C2CC3=CC=CC=C3)O)O)CC4=CC=CC=C4)O)O.Cl.Cl |
| InChIKey | NRKAFSROTVSRAX-UHFFFAOYSA-N |
The XLogP value of 2.6878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RS 59022-198. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RS 59022-198. Following Lipinski's Rule of Five, RS 59022-198 has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RS 59022-198 is 141839-02-3.
The molecular formula of RS 59022-198 is C28H42Cl2N2O4.
The molecular weight of RS 59022-198 is 540.25214 g/mol.
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