TL;DR: Adipic acid, phthalic anhydride, 1,3-butylene glycol, 1,2-propyleneglycol polymer, stearate (CAS 68238-78-8) is a chemical compound with molecular formula C39H68O13 and molecular weight 744.466 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzofuran-1,3-dione;butane-1,3-diol;hexanedioic acid;octadecanoic acid;propane-1,2-diol
Also Known As: Adipic acid, phthalic anhydride, 1,3-butylene glycol, 1,2-propyleneglycol polymer, stearate, C18-H36-O2.x-(C8H4-O3.C6-H10-O4.C4-H10-O2.C3-H8-O2)x-, Hexanedioic acid, polymer with 1,3-butanediol, 1,3-isobenzofurandione and 1,2-propanediol, octadecanoate, 2-benzofuran-1,3-dione; butane-1,3-diol; hexanedioic acid; octadecanoic acid; propane-1,2-diol, Adipic acid, phthalic anhydride, 1,3-butylene glycol, 1,2-propylene glycol polymer, stearate
| Molecular Formula | C39H68O13 |
| Molecular Weight | 744.466 g/mol |
| XLogP | 7.1548 |
| Topological Polar Surface Area (TPSA) | 236.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 24 |
| Exact Mass | 744.466 Da |
| Heavy Atoms | 52 |
| Complexity | 552.0 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)O.CC(CCO)O.CC(CO)O.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O |
| InChIKey | DAHDWMSKKNEQQN-UHFFFAOYSA-N |
The XLogP value of 7.1548 indicates that Adipic acid, phthalic anhydride, 1,3-butylene glycol, 1,2-propyleneglycol polymer, stearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 236.0 Ų indicates high polarity, suggesting Adipic acid, phthalic anhydride, 1,3-butylene glycol, 1,2-propyleneglycol polymer, stearate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adipic acid, phthalic anhydride, 1,3-butylene glycol, 1,2-propyleneglycol polymer, stearate has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Adipic acid, phthalic anhydride, 1,3-butylene glycol, 1,2-propyleneglycol polymer, stearate is 68238-78-8.
The molecular formula of Adipic acid, phthalic anhydride, 1,3-butylene glycol, 1,2-propyleneglycol polymer, stearate is C39H68O13.
The molecular weight of Adipic acid, phthalic anhydride, 1,3-butylene glycol, 1,2-propyleneglycol polymer, stearate is 744.466 g/mol.
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