TL;DR: N-Trifluoroacetyl-N-methyl-deacetylcolchiceine (CAS 1217782-80-3) is a chemical compound with molecular formula C22H22F3NO6 and molecular weight 453.13992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,2-trifluoro-N-(10-hydroxy-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-N-methylacetamide
Also Known As: N-Trifluoroacetyl-N-methyl-deacetylcolchiceine, 2,2,2-trifluoro-N-(10-hydroxy-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-N-methylacetamide, 2,2,2-trifluoro-N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-N-methylacetamide
| Molecular Formula | C22H22F3NO6 |
| Molecular Weight | 453.13992 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.13992 Da |
| Heavy Atoms | 32 |
| Complexity | 849.0 |
| SMILES | CN(C1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)O)OC)OC)OC)C(=O)C(F)(F)F |
| InChIKey | BGKNQBHEZDTGMU-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Trifluoroacetyl-N-methyl-deacetylcolchiceine. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Trifluoroacetyl-N-methyl-deacetylcolchiceine. Following Lipinski's Rule of Five, N-Trifluoroacetyl-N-methyl-deacetylcolchiceine has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-Trifluoroacetyl-N-methyl-deacetylcolchiceine is 1217782-80-3.
The molecular formula of N-Trifluoroacetyl-N-methyl-deacetylcolchiceine is C22H22F3NO6.
The molecular weight of N-Trifluoroacetyl-N-methyl-deacetylcolchiceine is 453.13992 g/mol.
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