TL;DR: N,N,N',N'-Tetramethylpararosaniline (CAS 133502-50-8) is a chemical compound with molecular formula C23H25N3 and molecular weight 343.20483 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[4-(dimethylamino)phenyl]-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline
Also Known As: N,N,N',N'-Tetramethylpararosaniline, Methyl violet 2B free base, N,N,N',N'-Tetramethyl-p-rosaniline, YTC2-F_000941, YTC2.1-F_000256
| Molecular Formula | C23H25N3 |
| Molecular Weight | 343.20483 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 30.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.20483 Da |
| Heavy Atoms | 26 |
| Complexity | 533.0 |
| SMILES | CN(C)C1=CC=C(C=C1)C(=C2C=CC(=N)C=C2)C3=CC=C(C=C3)N(C)C |
| InChIKey | XYSSGYHHAUSTHC-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that N,N,N',N'-Tetramethylpararosaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.3 Ų, N,N,N',N'-Tetramethylpararosaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N,N',N'-Tetramethylpararosaniline has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N,N,N',N'-Tetramethylpararosaniline is 133502-50-8.
The molecular formula of N,N,N',N'-Tetramethylpararosaniline is C23H25N3.
The molecular weight of N,N,N',N'-Tetramethylpararosaniline is 343.20483 g/mol.
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