TL;DR: [11C]McN-5652X (CAS 151121-37-8) is a chemical compound with molecular formula C19H21NS and molecular weight 294.1509 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6S,10bR)-6-(4-(111C)methylsulfanylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
Also Known As: [11C]McN-5652X|(11C)-(+)-MCN-5652|(+)-mcn-5652 c-11|11C-McN(+)5652|MCN-5652 C-11, (+)-|MCN-5652, (11C)-(+)-|(11C)(+)-McN-5652|J1.853.540H|Pyrrolo(2,1-a)isoquinoline, 1,2,3,5,6,10b-hexahydro-6-(4-(methyl-11c-thio)phenyl)-, (6S,10bR)-|(6S,10bR)-6-(4-methylsulfanylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline|(6S)-1,2,3,5,6,10balpha-Hexahydro-6beta-[4-[(11C)methylthio]phenyl]pyrrolo[2,1-a]isoquinoline|(6S)-6beta-[4-[[(11C)Methyl]thio]phenyl]-1,2,3,5,6,10balpha-hexahydropyrrolo[2,1-a]isoquinoline|(6S,10BR)-1,2,3,5,6,10B-HEXAHYDRO-6-(4-(METHYL-11C-THIO)PHENYL)PYRROLO(2,1-A)ISOQUINOLINE|(6S,10bR)-6-[4-[(11C)Methylthio]phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline|(6S,10bR)-6-{4-[(11C)methylsulfanyl]phenyl}-1H,2H,3H,5H,6H,10bH-pyrrolo[2,1-a]isoquinoline|05D739272C|MOLI001657|CHEMBL2114391|MOLI000230
| Molecular Formula | C19H21NS |
| Molecular Weight | 294.1509 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.1509 Da |
| Heavy Atoms | 21 |
| Complexity | 349.0 |
| SMILES | [11CH3]SC1=CC=C(C=C1)[C@@H]2CN3CCC[C@@H]3C4=CC=CC=C24 |
| InChIKey | YVKDUIAAPBKHMJ-AANZQFEOSA-N |
The XLogP value of 4.3 indicates that [11C]McN-5652X is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.5 Ų, [11C]McN-5652X exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [11C]McN-5652X has 0 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 [11C]McN-5652X is 151121-37-8.
The molecular formula of [11C]McN-5652X is C19H21NS.
The molecular weight of [11C]McN-5652X is 294.1509 g/mol.
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