TL;DR: Azobenzene, 4-bis(2-iodoethyl)amino-2-methyl- (CAS 63980-15-4) is a chemical compound with molecular formula C17H19I2N3 and molecular weight 518.96686 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-bis(2-iodoethyl)-3-methyl-4-phenyldiazenylaniline
Also Known As: Azobenzene, 4-bis(2-iodoethyl)amino-2-methyl-, N,N-Bis -2-methylazobenzen-4-amine, N,N-Bis(2-iodoethyl)-4-(phenylazo)-m-toluidine, m-Toluidine, N,N-bis(2-iodoethyl)-4-(phenylazo)-, Aniline, N,N-bis(2-iodoethyl)-3-methyl-4-(phenylazo)-
| Molecular Formula | C17H19I2N3 |
| Molecular Weight | 518.96686 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 28.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 518.96686 Da |
| Heavy Atoms | 22 |
| Complexity | 326.0 |
| SMILES | CC1=C(C=CC(=C1)N(CCI)CCI)N=NC2=CC=CC=C2 |
| InChIKey | NEVDHPNJHDRGFF-UHFFFAOYSA-N |
The XLogP value of 6.4 indicates that Azobenzene, 4-bis(2-iodoethyl)amino-2-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.0 Ų, Azobenzene, 4-bis(2-iodoethyl)amino-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azobenzene, 4-bis(2-iodoethyl)amino-2-methyl- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Azobenzene, 4-bis(2-iodoethyl)amino-2-methyl- is 63980-15-4.
The molecular formula of Azobenzene, 4-bis(2-iodoethyl)amino-2-methyl- is C17H19I2N3.
The molecular weight of Azobenzene, 4-bis(2-iodoethyl)amino-2-methyl- is 518.96686 g/mol.
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