TL;DR: Namirotene (CAS 101506-88-1) is a chemical compound with molecular formula C17H18O2S and molecular weight 286.10275 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-2-(5-propan-2-ylthiophen-2-yl)prop-1-enyl]benzoic acid
Also Known As: Namirotene, Namirotene [INN], namiroteno, namirotenum, Cbs 211 A
| Molecular Formula | C17H18O2S |
| Molecular Weight | 286.10275 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.10275 Da |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
| SMILES | CC(C)C1=CC=C(S1)/C(=C/C2=CC=C(C=C2)C(=O)O)/C |
| InChIKey | GDDUESKGWJTHLR-ZRDIBKRKSA-N |
The XLogP value of 5.2 indicates that Namirotene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Namirotene. Following Lipinski's Rule of Five, Namirotene has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Namirotene is 101506-88-1.
The molecular formula of Namirotene is C17H18O2S.
The molecular weight of Namirotene is 286.10275 g/mol.
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