TL;DR: 2-{[4-(1,3-Benzoxazol-2-ylsulfanyl)butyl]sulfanyl}-1,3-benzoxazole (CAS 144705-26-0) is a chemical compound with molecular formula C18H16N2O2S2 and molecular weight 356.0653 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(1,3-benzoxazol-2-ylsulfanyl)butylsulfanyl]-1,3-benzoxazole
Also Known As: BAS 01259370, BIM-0029360.P001, 2-{[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]sulfanyl}-1,3-benzoxazole, 2-(4-benzoxazol-2-ylthiobutylthio)benzoxazole, Butane, 1,4-bis[(benzooxazol-2-yl)sulfanyl]-
| Molecular Formula | C18H16N2O2S2 |
| Molecular Weight | 356.0653 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 356.0653 Da |
| Heavy Atoms | 24 |
| Complexity | 365.0 |
| SMILES | C1=CC=C2C(=C1)N=C(O2)SCCCCSC3=NC4=CC=CC=C4O3 |
| InChIKey | CVQWMGUCPVJACG-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that 2-{[4-(1,3-Benzoxazol-2-ylsulfanyl)butyl]sulfanyl}-1,3-benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(1,3-Benzoxazol-2-ylsulfanyl)butyl]sulfanyl}-1,3-benzoxazole. Following Lipinski's Rule of Five, 2-{[4-(1,3-Benzoxazol-2-ylsulfanyl)butyl]sulfanyl}-1,3-benzoxazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-{[4-(1,3-Benzoxazol-2-ylsulfanyl)butyl]sulfanyl}-1,3-benzoxazole is 144705-26-0.
The molecular formula of 2-{[4-(1,3-Benzoxazol-2-ylsulfanyl)butyl]sulfanyl}-1,3-benzoxazole is C18H16N2O2S2.
The molecular weight of 2-{[4-(1,3-Benzoxazol-2-ylsulfanyl)butyl]sulfanyl}-1,3-benzoxazole is 356.0653 g/mol.
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