TL;DR: Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol (CAS 14496-64-1) is a chemical compound with molecular formula C36H41Cl3O9 and molecular weight 722.18164 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-bis[[2-(4-chlorophenoxy)-2-methylpropanoyl]oxymethyl]butyl 2-(4-chlorophenoxy)-2-methylpropanoate
Also Known As: Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 2,2-Bis({[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy}methyl)butyl 2-(4-chlorophenoxy)-2-methylpropanoate, 2,2-bis[[2-(4-chlorophenoxy)-2-methylpropanoyl]oxymethyl]butyl 2-(4-chlorophenoxy)-2-methylpropanoate, BRN 1899462
| Molecular Formula | C36H41Cl3O9 |
| Molecular Weight | 722.18164 g/mol |
| XLogP | 9.7 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Exact Mass | 722.18164 Da |
| Heavy Atoms | 48 |
| Complexity | 915.0 |
| SMILES | CCC(COC(=O)C(C)(C)OC1=CC=C(C=C1)Cl)(COC(=O)C(C)(C)OC2=CC=C(C=C2)Cl)COC(=O)C(C)(C)OC3=CC=C(C=C3)Cl |
| InChIKey | XJBUPKZHSDIISJ-UHFFFAOYSA-N |
The XLogP value of 9.7 indicates that Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol. Following Lipinski's Rule of Five, Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol is 14496-64-1.
The molecular formula of Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol is C36H41Cl3O9.
The molecular weight of Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol is 722.18164 g/mol.
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