2-Demethyl-N-trifluoroacetyl-deacetylcolchicine
TL;DR: 2-Demethyl-N-trifluoroacetyl-deacetylcolchicine (CAS 86436-46-6) is a chemical compound with molecular formula C21H20F3NO6 and molecular weight 439.12427 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,2-trifluoro-N-[(7S)-2-hydroxy-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Also Known As: Colchicine derivative, 2-Demethyl-N-trifluoroacetyl-deacetylcolchicine, COLCHINE, N-TRIFLUORO ACETYL, NCI60_002948, 2,2,2-trifluoro-n-[(7s)-2-hydroxy-1,3,10-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Technical Specifications
| Molecular Formula | C21H20F3NO6 |
| Molecular Weight | 439.12427 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 94.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.12427 Da |
| Heavy Atoms | 31 |
| Complexity | 818.0 |
| SMILES | COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)O)OC)NC(=O)C(F)(F)F |
| InChIKey | BXGLTIXFXLUVOH-ZDUSSCGKSA-N |
Chemical Property Profile of 2-Demethyl-N-trifluoroacetyl-deacetylcolchicine
Property Insights of 2-Demethyl-N-trifluoroacetyl-deacetylcolchicine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Demethyl-N-trifluoroacetyl-deacetylcolchicine. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Demethyl-N-trifluoroacetyl-deacetylcolchicine. Following Lipinski's Rule of Five, 2-Demethyl-N-trifluoroacetyl-deacetylcolchicine has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Demethyl-N-trifluoroacetyl-deacetylcolchicine?
The CAS number of 2-Demethyl-N-trifluoroacetyl-deacetylcolchicine is 86436-46-6.
What is the molecular formula of 2-Demethyl-N-trifluoroacetyl-deacetylcolchicine?
The molecular formula of 2-Demethyl-N-trifluoroacetyl-deacetylcolchicine is C21H20F3NO6.
What is the molecular weight of 2-Demethyl-N-trifluoroacetyl-deacetylcolchicine?
The molecular weight of 2-Demethyl-N-trifluoroacetyl-deacetylcolchicine is 439.12427 g/mol.
Where can I buy 2-Demethyl-N-trifluoroacetyl-deacetylcolchicine?
You can request a quote for 2-Demethyl-N-trifluoroacetyl-deacetylcolchicine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Demethyl-N-trifluoroacetyl-deacetylcolchicine?
Yes, CoreyChem provides custom synthesis services for 2-Demethyl-N-trifluoroacetyl-deacetylcolchicine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.