TL;DR: 1,4-Butanediamine, N,N,N',N'-tetrachloro- (CAS 109241-53-4) is a chemical compound with molecular formula C4H8Cl4N2 and molecular weight 223.94415 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N,N',N'-tetrachlorobutane-1,4-diamine
Also Known As: Putrescine-di-dichloramine, N,N,N',N'-Tetrachloro-1,4-butanediamine, 1,4-BUTANEDIAMINE, N,N,N',N'-TETRACHLORO-, N,N,N',N'-tetrachlorobutane-1,4-diamine, N,N'-Butane-1,4-diylbis(N-chlorohypochlorous amide)
| Molecular Formula | C4H8Cl4N2 |
| Molecular Weight | 223.94415 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.94121 Da |
| Heavy Atoms | 10 |
| Complexity | 67.0 |
| SMILES | C(CCN(Cl)Cl)CN(Cl)Cl |
| InChIKey | NYZGXTRSOUJXOK-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Butanediamine, N,N,N',N'-tetrachloro-. With a topological polar surface area (TPSA) of 6.5 Ų, 1,4-Butanediamine, N,N,N',N'-tetrachloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Butanediamine, N,N,N',N'-tetrachloro- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,4-Butanediamine, N,N,N',N'-tetrachloro- is 109241-53-4.
The molecular formula of 1,4-Butanediamine, N,N,N',N'-tetrachloro- is C4H8Cl4N2.
The molecular weight of 1,4-Butanediamine, N,N,N',N'-tetrachloro- is 223.94415 g/mol.
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