TL;DR: RefChem:173624 (CAS 59514-43-1) is a chemical compound with molecular formula C26H45O7PS and molecular weight 532.2624 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-bis(methoxycarbonyl)benzenesulfonate;tetrabutylphosphanium
Also Known As: Phosphonium, tetrabutyl-, salt with 1,3-dimethyl 5-sulfo-1,3-benzenedicarboxylate (1:1), tetrabutylphosphonium 3,5-bis(methoxycarbonyl)benzenesulfonate, 3,5-bis(methoxycarbonyl)benzenesulfonate; tetrabutylphosphanium, Tetrabutylphosphanium 3,5-bis(methoxycarbonyl)benzene-1-sulfonate
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C26H45O7PS |
| Molecular Weight | 532.2624 g/mol |
| XLogP | 6.37 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 16 |
| Exact Mass | 532.2624 Da |
| Heavy Atoms | 35 |
| Complexity | 501.0 |
| SMILES | CCCC[P+](CCCC)(CCCC)CCCC.COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC |
| InChIKey | MMJOUBUIEZZWDJ-UHFFFAOYSA-M |
The XLogP value of 6.37 indicates that RefChem:173624 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:173624. Following Lipinski's Rule of Five, RefChem:173624 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:173624 is 59514-43-1.
The molecular formula of RefChem:173624 is C26H45O7PS.
The molecular weight of RefChem:173624 is 532.2624 g/mol.
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