TL;DR: Benzoic acid, 2,4-dichloro-, diphenylsilylene ester (CAS 129459-81-0) is a chemical compound with molecular formula C26H16Cl4O4Si and molecular weight 559.9572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(3-carboxy-2,6-dichlorophenyl)-diphenylsilyl]-2,4-dichlorobenzoic acid
Also Known As: Diphenylsilylene 2,4-dichlorobenzoate, Benzoic acid, 2,4-dichloro-, diphenylsilylene ester, Benzoic acid,2,4-dichloro-,diphenylsilylene ester, 3,3'-(Diphenylsilanediyl)bis(2,4-dichlorobenzoic acid), 3-[(3-carboxy-2,6-dichlorophenyl)-diphenylsilyl]-2,4-dichlorobenzoic acid
| Molecular Formula | C26H16Cl4O4Si |
| Molecular Weight | 559.9572 g/mol |
| XLogP | 5.074 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 559.9572 Da |
| Heavy Atoms | 35 |
| Complexity | 696.0 |
| SMILES | C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=C(C=CC(=C3Cl)C(=O)O)Cl)C4=C(C=CC(=C4Cl)C(=O)O)Cl |
| InChIKey | JFPSAVVBQVRKKV-UHFFFAOYSA-N |
The XLogP value of 5.074 indicates that Benzoic acid, 2,4-dichloro-, diphenylsilylene ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2,4-dichloro-, diphenylsilylene ester. Following Lipinski's Rule of Five, Benzoic acid, 2,4-dichloro-, diphenylsilylene ester has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzoic acid, 2,4-dichloro-, diphenylsilylene ester is 129459-81-0.
The molecular formula of Benzoic acid, 2,4-dichloro-, diphenylsilylene ester is C26H16Cl4O4Si.
The molecular weight of Benzoic acid, 2,4-dichloro-, diphenylsilylene ester is 559.9572 g/mol.
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