Research chemical
CAS Number: 1051931-36-2
![N1-(5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl)-N3,N3-dimethylpropane-1,3-diamine dioxalate molecular structure, CAS 1051931-36-2](/structure-images/1051931-36-2.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
16807044
Exact Mass
510.122063
InChIKey
VDWMSSFMNHZZNG-UHFFFAOYSA-N
IUPAC Name
N-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine;oxalic acid
SMILES String
CN(C)CCCNc1ncnc2scc(-c3ccc(F)cc3)c12.O=C(O)C(=O)O.O=C(O)C(=O)O
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.
N1-(5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl)-N3,N3-dimethylpropane-1,3-diamine dioxalate is identified by CAS 1051931-36-2, with molecular formula C21H23FN4O8S, molecular weight 510.5, InChIKey VDWMSSFMNHZZNG-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
35
H-bond acceptors
12
H-bond donors
5
Rotatable bonds
6
Ring count
3
Aromatic rings
3
Topological polar surface area
190.25 Ų
Computed LogP
2.17
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
N1-(5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl)-N3,N3-dimethylpropane-1,3-diamine dioxalate (CAS 1051931-36-2) is maintained as a cataloged research chemical with formula C21H23FN4O8S, molecular weight 510. 50 g/mol, PubChem CID 16807044.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; 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.