N-Trifluoroacetyl-N-deacetyl-1,2,3-demethylisocolchiceine
TL;DR: N-Trifluoroacetyl-N-deacetyl-1,2,3-demethylisocolchiceine (CAS 134568-36-8) is a chemical compound with molecular formula C18H14F3NO6 and molecular weight 397.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-N-[(7S)-1,2,3,10-tetrahydroxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Also Known As: Isocolchiceine analog, Benzo[a]heptalene, acetamide deriv., N-Trifluoroacetyl-N-deacetyl-1,2,3-demethylisocolchiceine, Acetamide, 2,2,2-trifluoro-N-(5,6,7,10-tetrahydro-1,2,3,9-tetrahydroxy-10-oxobenzo(a)heptalen-7-yl)-, (S)-, 2,2,2-Trifluoro-N-[(7S)-1,2,3,10-tetrahydroxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
| Molecular Formula | C18H14F3NO6 |
|---|---|
| Molecular Weight | 397.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 397.07733 |
| Heavy Atoms | 28 |
| Complexity | 772.0 |
Chemical Identifiers
| CAS Number | 134568-36-8 |
|---|---|
| SMILES | C1CC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C3[C@H]1NC(=O)C(F)(F)F)O)O)O)O |
| InChIKey | NFYKADOLBDURBY-JTQLQIEISA-N |
Product Overview
N-Trifluoroacetyl-N-deacetyl-1,2,3-demethylisocolchiceine (CAS 134568-36-8), with molecular formula C18H14F3NO6 and molecular weight 397.08 g/mol. IUPAC: 2,2,2-trifluoro-N-[(7S)-1,2,3,10-tetrahydroxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide.
Chemical Property Profile of N-Trifluoroacetyl-N-deacetyl-1,2,3-demethylisocolchiceine
Property Insights of N-Trifluoroacetyl-N-deacetyl-1,2,3-demethylisocolchiceine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Trifluoroacetyl-N-deacetyl-1,2,3-demethylisocolchiceine. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Trifluoroacetyl-N-deacetyl-1,2,3-demethylisocolchiceine. Following Lipinski's Rule of Five, N-Trifluoroacetyl-N-deacetyl-1,2,3-demethylisocolchiceine has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Trifluoroacetyl-N-deacetyl-1,2,3-demethylisocolchiceine?
The CAS number of N-Trifluoroacetyl-N-deacetyl-1,2,3-demethylisocolchiceine is 134568-36-8.
What is the molecular formula of N-Trifluoroacetyl-N-deacetyl-1,2,3-demethylisocolchiceine?
The molecular formula of N-Trifluoroacetyl-N-deacetyl-1,2,3-demethylisocolchiceine is C18H14F3NO6.
What is the molecular weight of N-Trifluoroacetyl-N-deacetyl-1,2,3-demethylisocolchiceine?
The molecular weight of N-Trifluoroacetyl-N-deacetyl-1,2,3-demethylisocolchiceine is 397.08 g/mol.
Where can I buy N-Trifluoroacetyl-N-deacetyl-1,2,3-demethylisocolchiceine?
You can request a quote for N-Trifluoroacetyl-N-deacetyl-1,2,3-demethylisocolchiceine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Trifluoroacetyl-N-deacetyl-1,2,3-demethylisocolchiceine?
Yes, KEHONG BIO provides custom synthesis services for N-Trifluoroacetyl-N-deacetyl-1,2,3-demethylisocolchiceine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.