TL;DR: n,n'-Heptane-1,7-diylbis[p,p-bis(aziridin-1-yl)(phosphinothioic amide)] (CAS 142386-40-1) is a chemical compound with molecular formula C15H32N6P2S2 and molecular weight 422.16052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N'-bis[bis(aziridin-1-yl)phosphinothioyl]heptane-1,7-diamine
Also Known As: n,n'-heptane-1,7-diylbis[p,p-bis(aziridin-1-yl)(phosphinothioic amide)], N,N'-bis[bis(aziridin-1-yl)phosphinothioyl]heptane-1,7-diami, N,N'-bis[bis(aziridin-1-yl)phosphinothioyl]heptane-1,7-diamine
| Molecular Formula | C15H32N6P2S2 |
| Molecular Weight | 422.16052 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 422.16052 Da |
| Heavy Atoms | 25 |
| Complexity | 480.0 |
| SMILES | C1CN1P(=S)(NCCCCCCCNP(=S)(N2CC2)N3CC3)N4CC4 |
| InChIKey | CNLYRZBZDCRWJA-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that n,n'-Heptane-1,7-diylbis[p,p-bis(aziridin-1-yl)(phosphinothioic amide)] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for n,n'-Heptane-1,7-diylbis[p,p-bis(aziridin-1-yl)(phosphinothioic amide)]. Following Lipinski's Rule of Five, n,n'-Heptane-1,7-diylbis[p,p-bis(aziridin-1-yl)(phosphinothioic amide)] has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of n,n'-Heptane-1,7-diylbis[p,p-bis(aziridin-1-yl)(phosphinothioic amide)] is 142386-40-1.
The molecular formula of n,n'-Heptane-1,7-diylbis[p,p-bis(aziridin-1-yl)(phosphinothioic amide)] is C15H32N6P2S2.
The molecular weight of n,n'-Heptane-1,7-diylbis[p,p-bis(aziridin-1-yl)(phosphinothioic amide)] is 422.16052 g/mol.
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