Research chemical
CAS Number: 712346-22-0
![N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3,4,5-trimethoxybenzamide molecular structure, CAS 712346-22-0](/structure-images/712346-22-0.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
2962100
Exact Mass
472.120583
InChIKey
BHQNBLWPPGPUNG-UHFFFAOYSA-N
SMILES String
COc1cc(C(=O)NC2(C(F)(F)F)C(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3,4,5-trimethoxybenzamide is identified by CAS 712346-22-0, with molecular formula C19H19F3N4O7, molecular weight 472.4, InChIKey BHQNBLWPPGPUNG-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
33
H-bond acceptors
11
H-bond donors
2
Rotatable bonds
5
Ring count
3
Aromatic rings
2
Topological polar surface area
129.89 Ų
Computed LogP
0.25
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
N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3,4,5-trimethoxybenzamide (CAS 712346-22-0) is maintained as a commercial cas reference with formula C19H19F3N4O7, molecular weight 472. 40 g/mol, PubChem CID 2962100.
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.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.