TL;DR: CP 31398 (CAS 1654733-02-4) is a chemical compound with molecular formula C22H26N4O and molecular weight 362.21066 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
Also Known As: CP 31398, CP-31,398, CP 31398 DIHYDROCHLORIDE, (E)-N1-(2-(4-Methoxystyryl)quinazolin-4-yl)-N3,N3-dimethylpropane-1,3-diamine, CP 91149
| Molecular Formula | C22H26N4O |
| Molecular Weight | 362.21066 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 50.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 362.21066 Da |
| Heavy Atoms | 27 |
| Complexity | 448.0 |
| SMILES | CN(C)CCCNC1=NC(=NC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)OC |
| InChIKey | NIHSNFSFDGHHRG-SDNWHVSQSA-N |
The XLogP value of 4.5 indicates that CP 31398 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.3 Ų, CP 31398 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CP 31398 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of CP 31398 is 1654733-02-4.
The molecular formula of CP 31398 is C22H26N4O.
The molecular weight of CP 31398 is 362.21066 g/mol.
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