TL;DR: RL 236 (CAS 153901-48-5) is a chemical compound with molecular formula C21H22ClN5S and molecular weight 411.12845 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(8-chloro-1-methyl-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)sulfanyl]-N,N-dimethylethanamine
Also Known As: Rl 236, 5-((N,N-Dimethylamino)ethylthio)-8-chloro-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine, 2-[(8-chloro-1-methyl-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)sulfanyl]-N,N-dimethylethanamine, Ethanamine, 2-((8-chloro-1-methyl-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)thio)-N,N-dimethyl-, [2-({12-chloro-3-methyl-9-phenyl-2,4,5,9-tetraazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,7,10,12-hexaen-8-yl}sulfanyl)ethyl]dimethylamine
| Molecular Formula | C21H22ClN5S |
| Molecular Weight | 411.12845 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 62.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.12845 Da |
| Heavy Atoms | 28 |
| Complexity | 553.0 |
| SMILES | CC1=NN=C2N1C3=C(C=C(C=C3)Cl)N(C(=C2)SCCN(C)C)C4=CC=CC=C4 |
| InChIKey | SEHDRNYESKPGDH-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that RL 236 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RL 236. Following Lipinski's Rule of Five, RL 236 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RL 236 is 153901-48-5.
The molecular formula of RL 236 is C21H22ClN5S.
The molecular weight of RL 236 is 411.12845 g/mol.
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