TL;DR: Tris(2,4,6-tribromophenoxy)dichlorophosphorane (CAS 112475-42-0) is a chemical compound with molecular formula C18H6Br9Cl2O3P and molecular weight 1081.2083 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dichloro-tris(2,4,6-tribromophenoxy)-λ5-phosphane
Also Known As: 2,4,6-Tpdp, Tris(2,4,6-tribromophenoxy)dichlorophosphorane, dichloro-tris(2,4,6-tribromophenoxy)-, Phosphorane,dichlorotris(2,4,6-tribromophenoxy)- (9CI), E5-phosphane
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C18H6Br9Cl2O3P |
| Molecular Weight | 1081.2083 g/mol |
| XLogP | 13.3 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 1081.2083 Da |
| Heavy Atoms | 33 |
| Complexity | 564.0 |
| SMILES | C1=C(C=C(C(=C1Br)OP(OC2=C(C=C(C=C2Br)Br)Br)(OC3=C(C=C(C=C3Br)Br)Br)(Cl)Cl)Br)Br |
| InChIKey | ACXYOQYLAANNIF-UHFFFAOYSA-N |
The XLogP value of 13.3 indicates that Tris(2,4,6-tribromophenoxy)dichlorophosphorane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, Tris(2,4,6-tribromophenoxy)dichlorophosphorane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tris(2,4,6-tribromophenoxy)dichlorophosphorane has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Tris(2,4,6-tribromophenoxy)dichlorophosphorane is 112475-42-0.
The molecular formula of Tris(2,4,6-tribromophenoxy)dichlorophosphorane is C18H6Br9Cl2O3P.
The molecular weight of Tris(2,4,6-tribromophenoxy)dichlorophosphorane is 1081.2083 g/mol.
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