TL;DR: Ro 11-2933 (CAS 98600-65-8) is a chemical compound with molecular formula C28H35NO2S2 and molecular weight 481.2109 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(2-naphthalen-2-yl-1,3-dithian-2-yl)propan-1-amine
Also Known As: 3,4-Dmdp, Ro 11-2933, KST-1A9421, Ro-11-2933, 1,3-Dithiane-2-propanamine, N-(2-(3,4-dimethoxyphenyl)ethyl)-N-methyl-2-(2-naphthalenyl)-
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C28H35NO2S2 |
| Molecular Weight | 481.2109 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 72.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 481.2109 Da |
| Heavy Atoms | 33 |
| Complexity | 570.0 |
| SMILES | CN(CCCC1(SCCCS1)C2=CC3=CC=CC=C3C=C2)CCC4=CC(=C(C=C4)OC)OC |
| InChIKey | YEXYNWAZYPPKQD-UHFFFAOYSA-N |
The XLogP value of 7.0 indicates that Ro 11-2933 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ro 11-2933. Following Lipinski's Rule of Five, Ro 11-2933 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ro 11-2933 is 98600-65-8.
The molecular formula of Ro 11-2933 is C28H35NO2S2.
The molecular weight of Ro 11-2933 is 481.2109 g/mol.
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