![7-methyl-2-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one structure](/static/products/488/488086-30-2.png)
7-methyl-2-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
TL;DR: 7-methyl-2-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one (CAS 488086-30-2) is a chemical compound with molecular formula C21H18F3N3O2S and molecular weight 433.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyl-5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: 7-methyl-2-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one, 7-methyl-2-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
| Molecular Formula | C21H18F3N3O2S |
|---|---|
| Molecular Weight | 433.11 g/mol |
| LogP | 4.8689 |
| Topological Polar Surface Area | 57.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 433.10718 |
| Heavy Atoms | 30 |
| Complexity | 1134.9629 |
Chemical Identifiers
| CAS Number | 488086-30-2 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(O4)C5=CC(=CC=C5)C(F)(F)F |
Product Overview
7-methyl-2-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one (CAS 488086-30-2), with molecular formula C21H18F3N3O2S and molecular weight 433.11 g/mol. IUPAC: 11-methyl-5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of 7-methyl-2-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Property Insights of 7-methyl-2-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
The XLogP value of 4.8689 indicates that 7-methyl-2-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.51 Ų, 7-methyl-2-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-methyl-2-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one has 2 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 7-methyl-2-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
The CAS number of 7-methyl-2-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one is 488086-30-2.
What is the molecular formula of 7-methyl-2-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
The molecular formula of 7-methyl-2-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one is C21H18F3N3O2S.
What is the molecular weight of 7-methyl-2-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
The molecular weight of 7-methyl-2-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one is 433.11 g/mol.
Where can I buy 7-methyl-2-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
You can request a quote for 7-methyl-2-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-methyl-2-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-methyl-2-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.