Research chemical
CAS Number: 1223794-38-4
![8-[(4-Ethylphenyl)methyl]-12-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5-thia-1,8,10,11-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,9,11-tetraen-7-one molecular structure, CAS 1223794-38-4](/structure-images/1223794-38-4.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
50743067
Exact Mass
500.095238
InChIKey
JUGXPRKBUUFSPZ-UHFFFAOYSA-N
IUPAC Name
8-[(4-ethylphenyl)methyl]-12-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-7-one
SMILES String
CCc1ccc(Cn2c(=O)c3sccc3n3c(SCc4cccc(C(F)(F)F)c4)nnc23)cc1
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
8-[(4-Ethylphenyl)methyl]-12-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5-thia-1,8,10,11-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,9,11-tetraen-7-one is identified by CAS 1223794-38-4, with molecular formula C24H19F3N4OS2, molecular weight 500.6, InChIKey JUGXPRKBUUFSPZ-UHFFFAOYSA-N.
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Ordering
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
34
H-bond acceptors
5
H-bond donors
0
Rotatable bonds
6
Ring count
5
Aromatic rings
5
Topological polar surface area
52.19 Ų
Computed LogP
6.03
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
8-[(4-Ethylphenyl)methyl]-12-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5-thia-1,8,10,11-tetraazatricyclo[7. 3. 0.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Review supplier documentation before handling; for research use only.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.