TL;DR: Styryl 7 (CAS 114720-33-1) is a chemical compound with molecular formula C28H30N2O3S2 and molecular weight 506.1698 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(1E,3E)-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline;4-methylbenzenesulfonate
Also Known As: Styryl 7, 2-(4-(4-(Dimethylamino)phenyl)buta-1,3-dien-1-yl)-3-ethylbenzo[d]thiazol-3-ium 4-methylbenzenesulfonate, 4-[(1E,3E)-4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline;4-methylbenzenesulfonate, 2-(4-[Dimethylaminophenyl]-1,3-butadienyl)-3-ethylbenzothiazolium p-toluenesulfonate salt, 2-[4-[4-(Dimethylamino)phenyl]-1,3-butadienyl]-3-ethylbenzothiazolium p-toluenesulfonate
| Molecular Formula | C28H30N2O3S2 |
| Molecular Weight | 506.1698 g/mol |
| XLogP | 5.90042 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 506.1698 Da |
| Heavy Atoms | 35 |
| Complexity | 630.0 |
| SMILES | CC[N+]1=C(SC2=CC=CC=C21)/C=C/C=C/C3=CC=C(C=C3)N(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | GJJVQOSJWDZAQM-UHFFFAOYSA-M |
The XLogP value of 5.90042 indicates that Styryl 7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Styryl 7. Following Lipinski's Rule of Five, Styryl 7 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Styryl 7 is 114720-33-1.
The molecular formula of Styryl 7 is C28H30N2O3S2.
The molecular weight of Styryl 7 is 506.1698 g/mol.
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