TL;DR: n,n'-Bis[(e)-{4-[bis(2-chloroethyl)amino]phenyl}methylidene]butane-1,4-diamine (CAS 15332-56-6) is a chemical compound with molecular formula C26H34Cl4N4 and molecular weight 542.15375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]butyliminomethyl]-N,N-bis(2-chloroethyl)aniline
Also Known As: n,n'-bis[(e)-{4-[bis(2-chloroethyl)amino]phenyl}methylidene]butane-1,4-diamine, 4-[4-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]bu, 4,4'-{Butane-1,4-diylbis[azanylylidene-(E)-methanylylidene]}bis[N,N-bis(2-chloroethyl)aniline], 4-[4-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]butyliminomethyl]-N,N-bis(2-chloroethyl)aniline
| Molecular Formula | C26H34Cl4N4 |
| Molecular Weight | 542.15375 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 542.15375 Da |
| Heavy Atoms | 34 |
| Complexity | 487.0 |
| SMILES | C1=CC(=CC=C1C=NCCCCN=CC2=CC=C(C=C2)N(CCCl)CCCl)N(CCCl)CCCl |
| InChIKey | XVDFNYAOWFVBEG-UHFFFAOYSA-N |
The XLogP value of 6.1 indicates that n,n'-Bis[(e)-{4-[bis(2-chloroethyl)amino]phenyl}methylidene]butane-1,4-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.2 Ų, n,n'-Bis[(e)-{4-[bis(2-chloroethyl)amino]phenyl}methylidene]butane-1,4-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n,n'-Bis[(e)-{4-[bis(2-chloroethyl)amino]phenyl}methylidene]butane-1,4-diamine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of n,n'-Bis[(e)-{4-[bis(2-chloroethyl)amino]phenyl}methylidene]butane-1,4-diamine is 15332-56-6.
The molecular formula of n,n'-Bis[(e)-{4-[bis(2-chloroethyl)amino]phenyl}methylidene]butane-1,4-diamine is C26H34Cl4N4.
The molecular weight of n,n'-Bis[(e)-{4-[bis(2-chloroethyl)amino]phenyl}methylidene]butane-1,4-diamine is 542.15375 g/mol.
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