TL;DR: TEPA,N-p-NO2-benzyliden-N-Me-hydrazin1yl (CAS 100853-73-4) is a chemical compound with molecular formula C12H16N5O3P and molecular weight 309.0991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[bis(aziridin-1-yl)phosphoryl]-N-[(E)-(4-nitrophenyl)methylideneamino]methanamine
Also Known As: TEPA,N-p-NO2-benzyliden-N-Me-hydrazin1yl, J1.598.277B, 1-Methyl-1-[bis(1-aziridinyl)phosphinyl]-2-(4-nitrobenzylidene)hydrazine, N-[bis(aziridin-1-yl)phosphoryl]-N-[(4-nitrophenyl)methylideneamino]methanamine, P,P-Bis(aziridin-1-yl)-N-methyl-N'-[(E)-(4-nitrophenyl)methylidene]phosphinic hydrazide
| Molecular Formula | C12H16N5O3P |
| Molecular Weight | 309.0991 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.0991 Da |
| Heavy Atoms | 21 |
| Complexity | 462.0 |
| SMILES | CN(/N=C/C1=CC=C(C=C1)[N+](=O)[O-])P(=O)(N2CC2)N3CC3 |
| InChIKey | AQFDHMSPALEOPZ-JLHYYAGUSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TEPA,N-p-NO2-benzyliden-N-Me-hydrazin1yl. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for TEPA,N-p-NO2-benzyliden-N-Me-hydrazin1yl. Following Lipinski's Rule of Five, TEPA,N-p-NO2-benzyliden-N-Me-hydrazin1yl 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 TEPA,N-p-NO2-benzyliden-N-Me-hydrazin1yl is 100853-73-4.
The molecular formula of TEPA,N-p-NO2-benzyliden-N-Me-hydrazin1yl is C12H16N5O3P.
The molecular weight of TEPA,N-p-NO2-benzyliden-N-Me-hydrazin1yl is 309.0991 g/mol.
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