TL;DR: 2-[4-(dimethylamino)benzylidene]-6-methoxybenzo[de]chromen-3(2H)-one (CAS 164027-24-1) is a chemical compound with molecular formula C22H19NO3 and molecular weight 345.1365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-8-methoxy-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-one
Also Known As: (2Z)-2-[4-(dimethylamino)benzylidene]-6-methoxybenzo[de]chromen-3(2H)-one, (Z)-2-(4-(dimethylamino)benzylidene)-6-methoxybenzo[de]chromen-3(2H)-one, 2-[4-(dimethylamino)benzylidene]-6-methoxybenzo[de]chromen-3(2H)-one, 2-{(Z)-1-[4-(DIMETHYLAMINO)PHENYL]METHYLIDENE}-6-METHOXYBENZO[DE]CHROMEN-3-ONE
| Molecular Formula | C22H19NO3 |
| Molecular Weight | 345.1365 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.1365 Da |
| Heavy Atoms | 26 |
| Complexity | 550.0 |
| SMILES | CN(C)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C4C(=C(C=C3)OC)C=CC=C4O2 |
| InChIKey | DOWMTGRXOQQXMH-MOSHPQCFSA-N |
The XLogP value of 4.9 indicates that 2-[4-(dimethylamino)benzylidene]-6-methoxybenzo[de]chromen-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 2-[4-(dimethylamino)benzylidene]-6-methoxybenzo[de]chromen-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(dimethylamino)benzylidene]-6-methoxybenzo[de]chromen-3(2H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[4-(dimethylamino)benzylidene]-6-methoxybenzo[de]chromen-3(2H)-one is 164027-24-1.
The molecular formula of 2-[4-(dimethylamino)benzylidene]-6-methoxybenzo[de]chromen-3(2H)-one is C22H19NO3.
The molecular weight of 2-[4-(dimethylamino)benzylidene]-6-methoxybenzo[de]chromen-3(2H)-one is 345.1365 g/mol.
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