TL;DR: 1,3-Diphosphacyclobutadiene, 1,1,3,3-tetra(diethylamino)-2,4-diphenyl- (CAS 112313-40-3) is a chemical compound with molecular formula C30H50N4P2 and molecular weight 528.3511 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-N,1-N,1-N',1-N',3-N,3-N,3-N',3-N'-octaethyl-2,4-diphenyl-1λ5,3λ5-diphosphacyclobuta-1,3-diene-1,1,3,3-tetramine
Also Known As: 1,3-Diphosphacyclobutadiene, 1,1,3,3-tetra(diethylamino)-2,4-diphenyl-, 1-N,1-N,1-N',1-N',3-N,3-N,3-N',3-N'-octaethyl-2,4-diphenyl-1, 1-N,1-N,1-N',1-N',3-N,3-N,3-N',3-N'-octaethyl-2,4-diphenyl-1lambda5,3lambda5-diphosphacyclobuta-1,3-diene-1,1,3,3-tetramine, N1,N1,N1,N1,N3,N3,N3,N3-octaethyl-2,4-diphenyl-1$l^{5},3$l^{5}-diphosp hacyclobuta-1,3-diene-1,1,3,3, 1-N,1-N,1-N',1-N',3-N,3-N,3-N',3-N'-octaethyl-2,4-diphenyl-1
| Molecular Formula | C30H50N4P2 |
| Molecular Weight | 528.3511 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 13.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 528.3511 Da |
| Heavy Atoms | 36 |
| Complexity | 649.0 |
| SMILES | CCN(CC)P1(=C(P(=C1C2=CC=CC=C2)(N(CC)CC)N(CC)CC)C3=CC=CC=C3)N(CC)CC |
| InChIKey | YFJPVJGXKFVAIZ-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that 1,3-Diphosphacyclobutadiene, 1,1,3,3-tetra(diethylamino)-2,4-diphenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.0 Ų, 1,3-Diphosphacyclobutadiene, 1,1,3,3-tetra(diethylamino)-2,4-diphenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diphosphacyclobutadiene, 1,1,3,3-tetra(diethylamino)-2,4-diphenyl- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,3-Diphosphacyclobutadiene, 1,1,3,3-tetra(diethylamino)-2,4-diphenyl- is 112313-40-3.
The molecular formula of 1,3-Diphosphacyclobutadiene, 1,1,3,3-tetra(diethylamino)-2,4-diphenyl- is C30H50N4P2.
The molecular weight of 1,3-Diphosphacyclobutadiene, 1,1,3,3-tetra(diethylamino)-2,4-diphenyl- is 528.3511 g/mol.
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