TL;DR: N4-(2-(4-bromostyryl)-7-chloroquinazolin-4-yl)-N1,N1-diethylpentane-1,4-diamine (CAS 190437-45-7) is a chemical compound with molecular formula C25H30BrClN4 and molecular weight 500.13425 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-N-[2-[2-(4-bromophenyl)ethenyl]-7-chloroquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
Also Known As: N4-(2-(4-bromostyryl)-7-chloroquinazolin-4-yl)-N1,N1-diethylpentane-1,4-diamine, 4-N-[2-[2-(4-bromophenyl)ethenyl]-7-chloroquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine, GNF-Pf-3842
| Molecular Formula | C25H30BrClN4 |
| Molecular Weight | 500.13425 g/mol |
| XLogP | 7.4 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 500.13425 Da |
| Heavy Atoms | 31 |
| Complexity | 536.0 |
| SMILES | CCN(CC)CCCC(C)NC1=NC(=NC2=C1C=CC(=C2)Cl)C=CC3=CC=C(C=C3)Br |
| InChIKey | SDPFFPOZNWFUGT-UHFFFAOYSA-N |
The XLogP value of 7.4 indicates that N4-(2-(4-bromostyryl)-7-chloroquinazolin-4-yl)-N1,N1-diethylpentane-1,4-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, N4-(2-(4-bromostyryl)-7-chloroquinazolin-4-yl)-N1,N1-diethylpentane-1,4-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N4-(2-(4-bromostyryl)-7-chloroquinazolin-4-yl)-N1,N1-diethylpentane-1,4-diamine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N4-(2-(4-bromostyryl)-7-chloroquinazolin-4-yl)-N1,N1-diethylpentane-1,4-diamine is 190437-45-7.
The molecular formula of N4-(2-(4-bromostyryl)-7-chloroquinazolin-4-yl)-N1,N1-diethylpentane-1,4-diamine is C25H30BrClN4.
The molecular weight of N4-(2-(4-bromostyryl)-7-chloroquinazolin-4-yl)-N1,N1-diethylpentane-1,4-diamine is 500.13425 g/mol.
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