TL;DR: (Tricyclo[4.2.2.0~2,5~]decane-7,8-diyl)bis(methylene) bis(4-methylbenzene-1-sulfonate) (CAS 36439-68-6) is a chemical compound with molecular formula C26H32O6S2 and molecular weight 504.16403 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[8-[(4-methylphenyl)sulfonyloxymethyl]-7-tricyclo[4.2.2.02,5]decanyl]methyl 4-methylbenzenesulfonate
Also Known As: (Tricyclo[4.2.2.0~2,5~]decane-7,8-diyl)bis(methylene) bis(4-methylbenzene-1-sulfonate)
| Molecular Formula | C26H32O6S2 |
| Molecular Weight | 504.16403 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 504.16403 Da |
| Heavy Atoms | 34 |
| Complexity | 828.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC2C3CCC(C2COS(=O)(=O)C4=CC=C(C=C4)C)C5C3CC5 |
| InChIKey | HMUYQGWIHJJHOL-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that (Tricyclo[4.2.2.0~2,5~]decane-7,8-diyl)bis(methylene) bis(4-methylbenzene-1-sulfonate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Tricyclo[4.2.2.0~2,5~]decane-7,8-diyl)bis(methylene) bis(4-methylbenzene-1-sulfonate). Following Lipinski's Rule of Five, (Tricyclo[4.2.2.0~2,5~]decane-7,8-diyl)bis(methylene) bis(4-methylbenzene-1-sulfonate) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (Tricyclo[4.2.2.0~2,5~]decane-7,8-diyl)bis(methylene) bis(4-methylbenzene-1-sulfonate) is 36439-68-6.
The molecular formula of (Tricyclo[4.2.2.0~2,5~]decane-7,8-diyl)bis(methylene) bis(4-methylbenzene-1-sulfonate) is C26H32O6S2.
The molecular weight of (Tricyclo[4.2.2.0~2,5~]decane-7,8-diyl)bis(methylene) bis(4-methylbenzene-1-sulfonate) is 504.16403 g/mol.
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