TL;DR: P,P-Bis[(aziridin-1-yl)]-N'-(4-nitrobenzylidene)-N-phenylphosphinic hydrazide (CAS 100853-77-8) is a chemical compound with molecular formula C17H18N5O3P and molecular weight 371.11472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[bis(aziridin-1-yl)phosphoryl]-N-[(4-nitrophenyl)methylideneamino]aniline
Also Known As: N-[bis(aziridin-1-yl)phosphoryl]-N-[(4-nitrophenyl)methylideneamino]aniline, P,P-Bis[(aziridin-1-yl)]-N'-(4-nitrobenzylidene)-N-phenylphosphinic hydrazide
| Molecular Formula | C17H18N5O3P |
| Molecular Weight | 371.11472 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.11472 Da |
| Heavy Atoms | 26 |
| Complexity | 572.0 |
| SMILES | C1CN1P(=O)(N2CC2)N(C3=CC=CC=C3)N=CC4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | YGQDBUALIZXRSR-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for P,P-Bis[(aziridin-1-yl)]-N'-(4-nitrobenzylidene)-N-phenylphosphinic hydrazide. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for P,P-Bis[(aziridin-1-yl)]-N'-(4-nitrobenzylidene)-N-phenylphosphinic hydrazide. Following Lipinski's Rule of Five, P,P-Bis[(aziridin-1-yl)]-N'-(4-nitrobenzylidene)-N-phenylphosphinic hydrazide has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of P,P-Bis[(aziridin-1-yl)]-N'-(4-nitrobenzylidene)-N-phenylphosphinic hydrazide is 100853-77-8.
The molecular formula of P,P-Bis[(aziridin-1-yl)]-N'-(4-nitrobenzylidene)-N-phenylphosphinic hydrazide is C17H18N5O3P.
The molecular weight of P,P-Bis[(aziridin-1-yl)]-N'-(4-nitrobenzylidene)-N-phenylphosphinic hydrazide is 371.11472 g/mol.
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