TL;DR: 3-Bromo-2-(dimethylamino)methyleneamino-9-fluorenone (CAS 101398-47-4) is a chemical compound with molecular formula C16H13BrN2O and molecular weight 328.02112 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-(3-bromo-9-oxofluoren-2-yl)-N,N-dimethylmethanimidamide
Also Known As: 3-Bromo-2-(dimethylamino)methyleneamino-9-fluorenone, FORMAMIDINE, N'-(3-BROMO-9-OXO-2-FLUORENYL)-N,N-DIMETHYL-, n'-(3-bromo-9-oxo-9h-fluoren-2-yl)-n,n-dimethylimidoformamide, N'-(3-bromo-9-oxofluoren-2-yl)-N,N-dimethylmethanimidamide, N2-[3-Bromo-9-oxo-9H-fluoren-2-yl]-N1,N1-dimethylformamidine
| Molecular Formula | C16H13BrN2O |
| Molecular Weight | 328.02112 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.02112 Da |
| Heavy Atoms | 20 |
| Complexity | 409.0 |
| SMILES | CN(C)C=NC1=C(C=C2C3=CC=CC=C3C(=O)C2=C1)Br |
| InChIKey | ZURKZTVVSYTSCL-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 3-Bromo-2-(dimethylamino)methyleneamino-9-fluorenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 3-Bromo-2-(dimethylamino)methyleneamino-9-fluorenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2-(dimethylamino)methyleneamino-9-fluorenone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Bromo-2-(dimethylamino)methyleneamino-9-fluorenone is 101398-47-4.
The molecular formula of 3-Bromo-2-(dimethylamino)methyleneamino-9-fluorenone is C16H13BrN2O.
The molecular weight of 3-Bromo-2-(dimethylamino)methyleneamino-9-fluorenone is 328.02112 g/mol.
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