TL;DR: 6,8-Dioxa-2-thiaspiro(3.5)nonane, 7-phenyl- (CAS 2552-28-5) is a chemical compound with molecular formula C12H14O2S and molecular weight 222.07146 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-phenyl-6,8-dioxa-2-thiaspiro[3.5]nonane
Also Known As: 7-Phenyl-6,8-dioxa-2-thiaspiro(3.5)nonane, 6,8-DIOXA-2-THIASPIRO(3.5)NONANE, 7-PHENYL-, 7-phenyl-6,8-dioxa-2-thiaspiro[3.5]nonane, 5-19-09-00193 (Beilstein Handbook Reference), BRN 1370449
| Molecular Formula | C12H14O2S |
| Molecular Weight | 222.07146 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 43.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.07146 Da |
| Heavy Atoms | 15 |
| Complexity | 212.0 |
| SMILES | C1C2(COC(O1)C3=CC=CC=C3)CSC2 |
| InChIKey | VPXKHFQWJYIDSB-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,8-Dioxa-2-thiaspiro(3.5)nonane, 7-phenyl-. With a topological polar surface area (TPSA) of 43.8 Ų, 6,8-Dioxa-2-thiaspiro(3.5)nonane, 7-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,8-Dioxa-2-thiaspiro(3.5)nonane, 7-phenyl- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6,8-Dioxa-2-thiaspiro(3.5)nonane, 7-phenyl- is 2552-28-5.
The molecular formula of 6,8-Dioxa-2-thiaspiro(3.5)nonane, 7-phenyl- is C12H14O2S.
The molecular weight of 6,8-Dioxa-2-thiaspiro(3.5)nonane, 7-phenyl- is 222.07146 g/mol.
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