TL;DR: RA(sub 15) (CAS 54627-05-3) is a chemical compound with molecular formula C13H9NO3S2 and molecular weight 291.00238 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(5,7-dioxo-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrol-6-yl)benzaldehyde
Also Known As: RA(sub 15), Benzaldehyde, 4-(2,3,5,7-tetrahydro-5,7-dioxo-6H-1,4-dithiino(2,3-c)pyrrol-6-yl)-, 4-(2,3,5,7-Tetrahydro-5,7-dioxo-6H-1,4-dithiino(2,3-c)pyrrol-6-yl)benzaldehyde, 4-(5,7-dioxo-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrol-6-yl)benzaldehyde, 4-(5,7-dioxo-2,3,5,7-tetrahydro-6H-[1,4]dithiino[2,3-c]pyrrol-6-yl)benzaldehyde
| Molecular Formula | C13H9NO3S2 |
| Molecular Weight | 291.00238 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.00238 Da |
| Heavy Atoms | 19 |
| Complexity | 439.0 |
| SMILES | C1CSC2=C(S1)C(=O)N(C2=O)C3=CC=C(C=C3)C=O |
| InChIKey | CSZMVTYQXOHFHU-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RA(sub 15). The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RA(sub 15). Following Lipinski's Rule of Five, RA(sub 15) has 0 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 RA(sub 15) is 54627-05-3.
The molecular formula of RA(sub 15) is C13H9NO3S2.
The molecular weight of RA(sub 15) is 291.00238 g/mol.
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