![(E)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxo-1-(3-(trifluoromethyl)phenyl)dihydropyrimidine-4,6(1H,5H)-dione structure](/static/products/877/877797-75-6.png)
(E)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxo-1-(3-(trifluoromethyl)phenyl)dihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (E)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxo-1-(3-(trifluoromethyl)phenyl)dihydropyrimidine-4,6(1H,5H)-dione (CAS 877797-75-6) is a chemical compound with molecular formula C24H20F3N3O2S and molecular weight 471.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-4,6-dione
Also Known As: (E)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxo-1-(3-(trifluoromethyl)phenyl)dihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C24H20F3N3O2S |
|---|---|
| Molecular Weight | 471.12 g/mol |
| LogP | 4.2355 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 471.12283 |
| Heavy Atoms | 33 |
| Complexity | 1190.6705 |
Chemical Identifiers
| CAS Number | 877797-75-6 |
|---|---|
| SMILES | C1CC2=CC(=CC3=C2N(C1)CCC3)/C=C/4\C(=O)NC(=S)N(C4=O)C5=CC=CC(=C5)C(F)(F)F |
Product Overview
(E)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxo-1-(3-(trifluoromethyl)phenyl)dihydropyrimidine-4,6(1H,5H)-dione (CAS 877797-75-6), with molecular formula C24H20F3N3O2S and molecular weight 471.12 g/mol. IUPAC: (5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-4,6-dione.
Chemical Property Profile of (E)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxo-1-(3-(trifluoromethyl)phenyl)dihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (E)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxo-1-(3-(trifluoromethyl)phenyl)dihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 4.2355 indicates that (E)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxo-1-(3-(trifluoromethyl)phenyl)dihydropyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, (E)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxo-1-(3-(trifluoromethyl)phenyl)dihydropyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxo-1-(3-(trifluoromethyl)phenyl)dihydropyrimidine-4,6(1H,5H)-dione has 1 hydrogen bond donor(s) and 4 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 (E)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxo-1-(3-(trifluoromethyl)phenyl)dihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (E)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxo-1-(3-(trifluoromethyl)phenyl)dihydropyrimidine-4,6(1H,5H)-dione is 877797-75-6.
What is the molecular formula of (E)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxo-1-(3-(trifluoromethyl)phenyl)dihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (E)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxo-1-(3-(trifluoromethyl)phenyl)dihydropyrimidine-4,6(1H,5H)-dione is C24H20F3N3O2S.
What is the molecular weight of (E)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxo-1-(3-(trifluoromethyl)phenyl)dihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (E)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxo-1-(3-(trifluoromethyl)phenyl)dihydropyrimidine-4,6(1H,5H)-dione is 471.12 g/mol.
Where can I buy (E)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxo-1-(3-(trifluoromethyl)phenyl)dihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (E)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxo-1-(3-(trifluoromethyl)phenyl)dihydropyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxo-1-(3-(trifluoromethyl)phenyl)dihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-((1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-thioxo-1-(3-(trifluoromethyl)phenyl)dihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.