Research chemical
CAS Number: 1185107-47-4
![1-(3-(4-benzylpiperidin-1-yl)-3-oxopropyl)-4-butylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one molecular structure, CAS 1185107-47-4](/structure-images/1185107-47-4.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
50761807
Exact Mass
477.219846
InChIKey
GYVABUOCWCBFRF-UHFFFAOYSA-N
IUPAC Name
12-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-8-butyl-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-7-one
SMILES String
CCCCn1c(=O)c2sccc2n2c(CCC(=O)N3CCC(Cc4ccccc4)CC3)nnc12
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.
1-(3-(4-benzylpiperidin-1-yl)-3-oxopropyl)-4-butylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one is identified by CAS 1185107-47-4, with molecular formula C26H31N5O2S, molecular weight 477.6, InChIKey GYVABUOCWCBFRF-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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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
7
H-bond donors
0
Rotatable bonds
8
Ring count
5
Aromatic rings
4
Topological polar surface area
72.5 Ų
Computed LogP
4.32
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
1-(3-(4-benzylpiperidin-1-yl)-3-oxopropyl)-4-butylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one (CAS 1185107-47-4) is maintained as a commercial cas reference with formula C26H31N5O2S, molecular weight 477. 60 g/mol, PubChem CID 50761807.
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.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.