TL;DR: Carbol-fuchsin free base (CAS 682730-74-1) is a chemical compound with molecular formula C21H21N3 and molecular weight 315.17355 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline
Also Known As: Carbol-fuchsin free base, Carbol-Fuchsin, Benzenamine, 4,4'-((4-imino-2,5-cyclohexadien-1-ylidene)methylene)bis(2-methyl-, 4,4'-((4-Iminocyclohexa-2,5-dien-1-ylidene)methylene)bis(2-methylaniline), 4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline
| Molecular Formula | C21H21N3 |
| Molecular Weight | 315.17355 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 75.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.17355 Da |
| Heavy Atoms | 24 |
| Complexity | 576.0 |
| SMILES | CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC(=C(C=C3)N)C)C=CC1=N |
| InChIKey | RJAMLLTWCQCKGI-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that Carbol-fuchsin free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbol-fuchsin free base. Following Lipinski's Rule of Five, Carbol-fuchsin free base has 3 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 Carbol-fuchsin free base is 682730-74-1.
The molecular formula of Carbol-fuchsin free base is C21H21N3.
The molecular weight of Carbol-fuchsin free base is 315.17355 g/mol.
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