TL;DR: SphK1&2-IN-1 (CAS 1415662-57-5) is a chemical compound with molecular formula C14H14N2O3S and molecular weight 290.0725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
Also Known As: SphK1&2-IN-1, IDI1_011242, WAY-272077?, (E)-3-(3,4-dimethoxyphenyl)-N-(thiazol-2-yl)acrylamide, (2E)-3-(3,4-Dimethoxyphenyl)-N-2-thiazolyl-2-propenamide
| Molecular Formula | C14H14N2O3S |
| Molecular Weight | 290.0725 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 88.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.0725 Da |
| Heavy Atoms | 20 |
| Complexity | 351.0 |
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)NC2=NC=CS2)OC |
| InChIKey | SMRXKMFZQYOXSX-GQCTYLIASA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SphK1&2-IN-1. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for SphK1&2-IN-1. Following Lipinski's Rule of Five, SphK1&2-IN-1 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of SphK1&2-IN-1 is 1415662-57-5.
The molecular formula of SphK1&2-IN-1 is C14H14N2O3S.
The molecular weight of SphK1&2-IN-1 is 290.0725 g/mol.
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