TL;DR: 4-(3,6-dihydro-2H-pyran-4-ylmethoxy)-N-{(E)-[4-(heptyloxy)phenyl]methylidene}aniline (CAS 139091-90-0) is a chemical compound with molecular formula C26H33NO3 and molecular weight 407.24603 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-(3,6-dihydro-2H-pyran-4-ylmethoxy)phenyl]-1-(4-heptoxyphenyl)methanimine
Also Known As: 4-(3,6-dihydro-2H-pyran-4-ylmethoxy)-N-{(E)-[4-(heptyloxy)phenyl]methylidene}aniline, N-[4-(3,6-dihydro-2H-pyran-4-ylmethoxy)phenyl]-1-(4-heptoxyphenyl)methanimine, (E)-4-((3,6-dihydro-2H-pyran-4-yl)methoxy)-N-(4-(heptyloxy)benzylidene)aniline
| Molecular Formula | C26H33NO3 |
| Molecular Weight | 407.24603 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 407.24603 Da |
| Heavy Atoms | 30 |
| Complexity | 502.0 |
| SMILES | CCCCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)OCC3=CCOCC3 |
| InChIKey | IPBVOARNANTRTP-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that 4-(3,6-dihydro-2H-pyran-4-ylmethoxy)-N-{(E)-[4-(heptyloxy)phenyl]methylidene}aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.1 Ų, 4-(3,6-dihydro-2H-pyran-4-ylmethoxy)-N-{(E)-[4-(heptyloxy)phenyl]methylidene}aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,6-dihydro-2H-pyran-4-ylmethoxy)-N-{(E)-[4-(heptyloxy)phenyl]methylidene}aniline has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-(3,6-dihydro-2H-pyran-4-ylmethoxy)-N-{(E)-[4-(heptyloxy)phenyl]methylidene}aniline is 139091-90-0.
The molecular formula of 4-(3,6-dihydro-2H-pyran-4-ylmethoxy)-N-{(E)-[4-(heptyloxy)phenyl]methylidene}aniline is C26H33NO3.
The molecular weight of 4-(3,6-dihydro-2H-pyran-4-ylmethoxy)-N-{(E)-[4-(heptyloxy)phenyl]methylidene}aniline is 407.24603 g/mol.
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