TL;DR: Toxin 7 (CAS 125518-25-4) is a chemical compound with molecular formula C24H28Cl4N2O2 and molecular weight 516.0905 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[bis(2-chloroethyl)amino]-2-[4-[4-[1-[bis(2-chloroethyl)amino]-2-oxoethyl]phenyl]phenyl]acetaldehyde
Also Known As: Toxin 7, 2-[bis(2-chloroethyl)amino]-2-[4-[4-[1-[bis(2-chloroethyl)amino]-2-oxoethyl]phenyl]phenyl]acetaldehyde, alpha,alpha'-Bis(di(2-chloroethyl)amino)-4,4'-(2-biacetophenone), alpha, alpha/'-bis(di(2-chloroethyl)amino)-4,4/'-(2-biacetophenone), Ethanone, (1,1'-biphenyl)-4,4'-diylbis(2-(bis(2-chloroethyl)amino)-
| Molecular Formula | C24H28Cl4N2O2 |
| Molecular Weight | 516.0905 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 516.0905 Da |
| Heavy Atoms | 32 |
| Complexity | 468.0 |
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)C(C=O)N(CCCl)CCCl)C(C=O)N(CCCl)CCCl |
| InChIKey | GFRHEOMWAJJZSF-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that Toxin 7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, Toxin 7 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Toxin 7 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Toxin 7 is 125518-25-4.
The molecular formula of Toxin 7 is C24H28Cl4N2O2.
The molecular weight of Toxin 7 is 516.0905 g/mol.
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