N-(Trifluoroacetyl)thiodemecolcine
TL;DR: N-(Trifluoroacetyl)thiodemecolcine (CAS 92264-45-4) is a chemical compound with molecular formula C23H24F3NO5S and molecular weight 483.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-N-methyl-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Also Known As: N-(Trifluoroacetyl)thiodemecolcine, Colchicine, N-methyl-10-thio-17,17,17-trifluoro-, Acetamide, N-methyl-N-(10-(methylthio)-9-oxo-1,2,3-trimethoxy-5,6,7,9-tetrahydrobenzo(a)heptalen-7-yl)-2,2,2-trifluoro-, Acetamide, 2,2,2-trifluoro-N-methyl-N-[5,6,7,9-tetrahydro-1,, Acetamide, 2,2,2-trifluoro-N-methyl-N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-, (S)-
| Molecular Formula | C23H24F3NO5S |
|---|---|
| Molecular Weight | 483.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 483.13272 |
| Heavy Atoms | 33 |
| Complexity | 869.0 |
Chemical Identifiers
| CAS Number | 92264-45-4 |
|---|---|
| SMILES | CN([C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC)C(=O)C(F)(F)F |
| InChIKey | XSCLBZXALKPDOC-HNNXBMFYSA-N |
Product Overview
N-(Trifluoroacetyl)thiodemecolcine (CAS 92264-45-4), with molecular formula C23H24F3NO5S and molecular weight 483.13 g/mol. IUPAC: 2,2,2-trifluoro-N-methyl-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide.
Chemical Property Profile of N-(Trifluoroacetyl)thiodemecolcine
Property Insights of N-(Trifluoroacetyl)thiodemecolcine
The XLogP value of 3.1 indicates that N-(Trifluoroacetyl)thiodemecolcine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(Trifluoroacetyl)thiodemecolcine. Following Lipinski's Rule of Five, N-(Trifluoroacetyl)thiodemecolcine has 0 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)thiodemecolcine?
The CAS number of N-(Trifluoroacetyl)thiodemecolcine is 92264-45-4.
What is the molecular formula of N-(Trifluoroacetyl)thiodemecolcine?
The molecular formula of N-(Trifluoroacetyl)thiodemecolcine is C23H24F3NO5S.
What is the molecular weight of N-(Trifluoroacetyl)thiodemecolcine?
The molecular weight of N-(Trifluoroacetyl)thiodemecolcine is 483.13 g/mol.
Where can I buy N-(Trifluoroacetyl)thiodemecolcine?
You can request a quote for N-(Trifluoroacetyl)thiodemecolcine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Trifluoroacetyl)thiodemecolcine?
Yes, KEHONG BIO provides custom synthesis services for N-(Trifluoroacetyl)thiodemecolcine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.