TL;DR: RA(sub 19) (CAS 54627-08-6) is a chemical compound with molecular formula C18H23ClN2O3S2 and molecular weight 414.08386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(5,7-dioxo-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrol-6-yl)phenoxy]ethyl-diethylazanium chloride
Also Known As: RA(sub 19), 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(4-(2-(diethylamino)ethoxy)phenyl)-, monohydrochloride, p-Dithiin-2,3-dicarboximide, 5,6-dihydro-N-(4-(2-(diethylamino)ethoxy)phenyl)-, HCl, 2-[4-(5,7-dioxo-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrol-6-yl)phenoxy]ethyl-diethylazanium chloride, 5H-1,4-DITHIINO(2,3-c)PYRROLE-5,7(6H)-DIONE, 2,3-DIHYDRO-6-(4-(2-(DIETHYLAMINO)E
| Molecular Formula | C18H23ClN2O3S2 |
| Molecular Weight | 414.08386 g/mol |
| XLogP | -1.44 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.08386 Da |
| Heavy Atoms | 26 |
| Complexity | 512.0 |
| SMILES | CC[NH+](CC)CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)SCCS3.[Cl-] |
| InChIKey | BWPOXJQNBBOXKV-UHFFFAOYSA-N |
The XLogP value of -1.44 indicates that RA(sub 19) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RA(sub 19). Following Lipinski's Rule of Five, RA(sub 19) has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RA(sub 19) is 54627-08-6.
The molecular formula of RA(sub 19) is C18H23ClN2O3S2.
The molecular weight of RA(sub 19) is 414.08386 g/mol.
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