Research chemical
CAS Number: 1217089-90-1
![12-{[2-Oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]sulfanyl}-8-[(oxolan-2-yl)methyl]-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 1217089-90-1](/structure-images/1217089-90-1.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
50785011
Exact Mass
481.124232
InChIKey
RSEPZZZASWZMKS-UHFFFAOYSA-N
IUPAC Name
12-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-8-(oxolan-2-ylmethyl)-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-7-one
SMILES String
O=C(CSc1nnc2n(CC3CCCO3)c(=O)c3sccc3n12)N1CCc2ccccc2C1
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
12-{[2-Oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]sulfanyl}-8-[(oxolan-2-yl)methyl]-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 1217089-90-1, with molecular formula C23H23N5O3S2, molecular weight 481.6, InChIKey RSEPZZZASWZMKS-UHFFFAOYSA-N.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
33
H-bond acceptors
8
H-bond donors
0
Rotatable bonds
5
Ring count
6
Aromatic rings
4
Topological polar surface area
81.73 Ų
Computed LogP
2.96
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
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
12-{[2-Oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]sulfanyl}-8-[(oxolan-2-yl)methyl]-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, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
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