4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-2-(3-(trifluoromethyl)phenyl)-
TL;DR: 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-2-(3-(trifluoromethyl)phenyl)- (CAS 120354-33-8) is a chemical compound with molecular formula C18H15F3N2OS and molecular weight 364.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(trifluoromethyl)phenyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Also Known As: 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-2-(3-(trifluoromethyl)phenyl)-, 2-[3-(Trifluoromethyl)phenyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one, BRN 5997903, RefChem:297481
| Molecular Formula | C18H15F3N2OS |
|---|---|
| Molecular Weight | 364.09 g/mol |
| LogP | 4.9393 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 364.08572 |
| Heavy Atoms | 25 |
| Complexity | 1003.70435 |
Chemical Identifiers
| CAS Number | 120354-33-8 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C(=O)NC(=N3)C4=CC(=CC=C4)C(F)(F)F |
Product Overview
4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-2-(3-(trifluoromethyl)phenyl)- (CAS 120354-33-8), with molecular formula C18H15F3N2OS and molecular weight 364.09 g/mol. IUPAC: 5-[3-(trifluoromethyl)phenyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-2-(3-(trifluoromethyl)phenyl)-
Property Insights of 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-2-(3-(trifluoromethyl)phenyl)-
The XLogP value of 4.9393 indicates that 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-2-(3-(trifluoromethyl)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.75 Ų, 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-2-(3-(trifluoromethyl)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-2-(3-(trifluoromethyl)phenyl)- has 1 hydrogen bond donor(s) and 3 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 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-2-(3-(trifluoromethyl)phenyl)-?
The CAS number of 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-2-(3-(trifluoromethyl)phenyl)- is 120354-33-8.
What is the molecular formula of 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-2-(3-(trifluoromethyl)phenyl)-?
The molecular formula of 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-2-(3-(trifluoromethyl)phenyl)- is C18H15F3N2OS.
What is the molecular weight of 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-2-(3-(trifluoromethyl)phenyl)-?
The molecular weight of 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-2-(3-(trifluoromethyl)phenyl)- is 364.09 g/mol.
Where can I buy 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-2-(3-(trifluoromethyl)phenyl)-?
You can request a quote for 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-2-(3-(trifluoromethyl)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-2-(3-(trifluoromethyl)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-2-(3-(trifluoromethyl)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.