TL;DR: Spiro[cyclopenta[2,1-b:3,4-b']dithiophene-4,2'-[1,3]dioxolane] (CAS 156547-71-6) is a chemical compound with molecular formula C11H8O2S2 and molecular weight 235.99657 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
spiro[1,3-dioxolane-2,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]
Also Known As: spiro[1,3-dioxolane-2,5'-[?]], NCI60_027888, J1.627.643J, Spiro[cyclopenta[2,1-b:3,4-b']dithiophene-4,2'-[1,3]dioxolane], Spiro[4H-cyclopenta[2,1-b:3,4-b]dithiophene-4,2-[1,3]dioxolane]
| Molecular Formula | C11H8O2S2 |
| Molecular Weight | 235.99657 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.99657 Da |
| Heavy Atoms | 15 |
| Complexity | 256.0 |
| SMILES | C1COC2(O1)C3=C(C4=C2C=CS4)SC=C3 |
| InChIKey | BCGOAEVQIBPZCC-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiro[cyclopenta[2,1-b:3,4-b']dithiophene-4,2'-[1,3]dioxolane]. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Spiro[cyclopenta[2,1-b:3,4-b']dithiophene-4,2'-[1,3]dioxolane]. Following Lipinski's Rule of Five, Spiro[cyclopenta[2,1-b:3,4-b']dithiophene-4,2'-[1,3]dioxolane] has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Spiro[cyclopenta[2,1-b:3,4-b']dithiophene-4,2'-[1,3]dioxolane] is 156547-71-6.
The molecular formula of Spiro[cyclopenta[2,1-b:3,4-b']dithiophene-4,2'-[1,3]dioxolane] is C11H8O2S2.
The molecular weight of Spiro[cyclopenta[2,1-b:3,4-b']dithiophene-4,2'-[1,3]dioxolane] is 235.99657 g/mol.
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