![N-{5,6-dimethoxy-3-oxo-2-[(Z)-2-thienylmethylidene]-1,3-dihydro-2H-inden-1-yl}-2,2,2-trifluoroacetamide structure](/static/products/865/865657-79-0.png)
N-{5,6-dimethoxy-3-oxo-2-[(Z)-2-thienylmethylidene]-1,3-dihydro-2H-inden-1-yl}-2,2,2-trifluoroacetamide
TL;DR: N-{5,6-dimethoxy-3-oxo-2-[(Z)-2-thienylmethylidene]-1,3-dihydro-2H-inden-1-yl}-2,2,2-trifluoroacetamide (CAS 865657-79-0) is a chemical compound with molecular formula C18H14F3NO4S and molecular weight 397.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5,6-dimethoxy-3-oxo-2-(thiophen-2-ylmethylidene)-1H-inden-1-yl]-2,2,2-trifluoroacetamide
Also Known As: N-{5,6-dimethoxy-3-oxo-2-[(Z)-2-thienylmethylidene]-1,3-dihydro-2H-inden-1-yl}-2,2,2-trifluoroacetamide, N-[(2Z)-5,6-dimethoxy-3-oxo-2-(thiophen-2-ylmethylidene)-1H-inden-1-yl]-2,2,2-trifluoroacetamide, N-[5,6-dimethoxy-3-oxo-2-(thiophen-2-ylmethylidene)-1H-inden-1-yl]-2,2,2-trifluoroacetamide
| Molecular Formula | C18H14F3NO4S |
|---|---|
| Molecular Weight | 397.06 g/mol |
| LogP | 3.7648 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.05957 |
| Heavy Atoms | 27 |
| Complexity | 919.4282 |
Chemical Identifiers
| CAS Number | 865657-79-0 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(C(=CC3=CC=CS3)C2=O)NC(=O)C(F)(F)F)OC |
Product Overview
N-{5,6-dimethoxy-3-oxo-2-[(Z)-2-thienylmethylidene]-1,3-dihydro-2H-inden-1-yl}-2,2,2-trifluoroacetamide (CAS 865657-79-0), with molecular formula C18H14F3NO4S and molecular weight 397.06 g/mol. IUPAC: N-[5,6-dimethoxy-3-oxo-2-(thiophen-2-ylmethylidene)-1H-inden-1-yl]-2,2,2-trifluoroacetamide.
Chemical Property Profile of N-{5,6-dimethoxy-3-oxo-2-[(Z)-2-thienylmethylidene]-1,3-dihydro-2H-inden-1-yl}-2,2,2-trifluoroacetamide
Property Insights of N-{5,6-dimethoxy-3-oxo-2-[(Z)-2-thienylmethylidene]-1,3-dihydro-2H-inden-1-yl}-2,2,2-trifluoroacetamide
The XLogP value of 3.7648 indicates that N-{5,6-dimethoxy-3-oxo-2-[(Z)-2-thienylmethylidene]-1,3-dihydro-2H-inden-1-yl}-2,2,2-trifluoroacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{5,6-dimethoxy-3-oxo-2-[(Z)-2-thienylmethylidene]-1,3-dihydro-2H-inden-1-yl}-2,2,2-trifluoroacetamide. Following Lipinski's Rule of Five, N-{5,6-dimethoxy-3-oxo-2-[(Z)-2-thienylmethylidene]-1,3-dihydro-2H-inden-1-yl}-2,2,2-trifluoroacetamide has 1 hydrogen bond donor(s) and 5 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-{5,6-dimethoxy-3-oxo-2-[(Z)-2-thienylmethylidene]-1,3-dihydro-2H-inden-1-yl}-2,2,2-trifluoroacetamide?
The CAS number of N-{5,6-dimethoxy-3-oxo-2-[(Z)-2-thienylmethylidene]-1,3-dihydro-2H-inden-1-yl}-2,2,2-trifluoroacetamide is 865657-79-0.
What is the molecular formula of N-{5,6-dimethoxy-3-oxo-2-[(Z)-2-thienylmethylidene]-1,3-dihydro-2H-inden-1-yl}-2,2,2-trifluoroacetamide?
The molecular formula of N-{5,6-dimethoxy-3-oxo-2-[(Z)-2-thienylmethylidene]-1,3-dihydro-2H-inden-1-yl}-2,2,2-trifluoroacetamide is C18H14F3NO4S.
What is the molecular weight of N-{5,6-dimethoxy-3-oxo-2-[(Z)-2-thienylmethylidene]-1,3-dihydro-2H-inden-1-yl}-2,2,2-trifluoroacetamide?
The molecular weight of N-{5,6-dimethoxy-3-oxo-2-[(Z)-2-thienylmethylidene]-1,3-dihydro-2H-inden-1-yl}-2,2,2-trifluoroacetamide is 397.06 g/mol.
Where can I buy N-{5,6-dimethoxy-3-oxo-2-[(Z)-2-thienylmethylidene]-1,3-dihydro-2H-inden-1-yl}-2,2,2-trifluoroacetamide?
You can request a quote for N-{5,6-dimethoxy-3-oxo-2-[(Z)-2-thienylmethylidene]-1,3-dihydro-2H-inden-1-yl}-2,2,2-trifluoroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{5,6-dimethoxy-3-oxo-2-[(Z)-2-thienylmethylidene]-1,3-dihydro-2H-inden-1-yl}-2,2,2-trifluoroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-{5,6-dimethoxy-3-oxo-2-[(Z)-2-thienylmethylidene]-1,3-dihydro-2H-inden-1-yl}-2,2,2-trifluoroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.