TL;DR: Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, cis- (CAS 123994-01-4) is a chemical compound with molecular formula C22H37NO2S and molecular weight 379.2545 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,5S)-2-butyl-5-heptyl-1-(4-methylphenyl)sulfonylpyrrolidine
Also Known As: J2.975.122F, Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, cis-, (2R)-1-Tosyl-2alpha-butyl-5alpha-heptylpyrrolidine, 2-Butyl-5-heptyl-1-(4-methylbenzene-1-sulfonyl)pyrrolidine, (2R,5S)-2-butyl-5-heptyl-1-(4-methylphenyl)sulfonylpyrrolidine
| Molecular Formula | C22H37NO2S |
| Molecular Weight | 379.2545 g/mol |
| XLogP | 7.3 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 379.2545 Da |
| Heavy Atoms | 26 |
| Complexity | 477.0 |
| SMILES | CCCCCCC[C@H]1CC[C@H](N1S(=O)(=O)C2=CC=C(C=C2)C)CCCC |
| InChIKey | YQHCNOZPXMUGOX-RTWAWAEBSA-N |
The XLogP value of 7.3 indicates that Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, cis- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, cis- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, cis- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, cis- is 123994-01-4.
The molecular formula of Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, cis- is C22H37NO2S.
The molecular weight of Pyrrolidine, 2-butyl-5-heptyl-1-((4-methylphenyl)sulfonyl)-, cis- is 379.2545 g/mol.
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