![3-(4-chlorophenyl)-2-((3-(trifluoromethyl)benzyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one structure](/static/products/678/678544-72-4.png)
3-(4-chlorophenyl)-2-((3-(trifluoromethyl)benzyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
TL;DR: 3-(4-chlorophenyl)-2-((3-(trifluoromethyl)benzyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 678544-72-4) is a chemical compound with molecular formula C23H16ClF3N2OS2 and molecular weight 492.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(4-chlorophenyl)-10-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: 3-(4-chlorophenyl)-2-((3-(trifluoromethyl)benzyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 3-(4-chlorophenyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 11-(4-chlorophenyl)-10-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-12-one, 3-(4-chlorophenyl)-2-{[3-(trifluoromethyl)phenyl]methylthio}-3,5,6,7-tetrahydr ocyclopenta[2,1-d]pyrimidino[4,5-b]thiophen-4-one
| Molecular Formula | C23H16ClF3N2OS2 |
|---|---|
| Molecular Weight | 492.03 g/mol |
| LogP | 6.9004 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 492.03445 |
| Heavy Atoms | 32 |
| Complexity | 1377.2534 |
Chemical Identifiers
| CAS Number | 678544-72-4 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=CC(=CC=C4)C(F)(F)F)C5=CC=C(C=C5)Cl |
Product Overview
3-(4-chlorophenyl)-2-((3-(trifluoromethyl)benzyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 678544-72-4), with molecular formula C23H16ClF3N2OS2 and molecular weight 492.03 g/mol. IUPAC: 11-(4-chlorophenyl)-10-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of 3-(4-chlorophenyl)-2-((3-(trifluoromethyl)benzyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
Property Insights of 3-(4-chlorophenyl)-2-((3-(trifluoromethyl)benzyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
The XLogP value of 6.9004 indicates that 3-(4-chlorophenyl)-2-((3-(trifluoromethyl)benzyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 3-(4-chlorophenyl)-2-((3-(trifluoromethyl)benzyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-2-((3-(trifluoromethyl)benzyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-chlorophenyl)-2-((3-(trifluoromethyl)benzyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The CAS number of 3-(4-chlorophenyl)-2-((3-(trifluoromethyl)benzyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 678544-72-4.
What is the molecular formula of 3-(4-chlorophenyl)-2-((3-(trifluoromethyl)benzyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The molecular formula of 3-(4-chlorophenyl)-2-((3-(trifluoromethyl)benzyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is C23H16ClF3N2OS2.
What is the molecular weight of 3-(4-chlorophenyl)-2-((3-(trifluoromethyl)benzyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
The molecular weight of 3-(4-chlorophenyl)-2-((3-(trifluoromethyl)benzyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one is 492.03 g/mol.
Where can I buy 3-(4-chlorophenyl)-2-((3-(trifluoromethyl)benzyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
You can request a quote for 3-(4-chlorophenyl)-2-((3-(trifluoromethyl)benzyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chlorophenyl)-2-((3-(trifluoromethyl)benzyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-2-((3-(trifluoromethyl)benzyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.