Research chemical
CAS Number: 379236-78-9
![Dimethyl 5-(2-((3-allyl-5-(5-methylfuran-2-yl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)isophthalate molecular structure, CAS 379236-78-9](/structure-images/379236-78-9.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
2132620
Exact Mass
553.097742
InChIKey
RKIDDORJTSZDGA-UHFFFAOYSA-N
IUPAC Name
dimethyl 5-[[2-[5-(5-methylfuran-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxylate
SMILES String
C=CCn1c(SCC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)nc2scc(-c3ccc(C)o3)c2c1=O
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.
Dimethyl 5-(2-((3-allyl-5-(5-methylfuran-2-yl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)isophthalate is identified by CAS 379236-78-9, with molecular formula C26H23N3O7S2, molecular weight 553.6, InChIKey RKIDDORJTSZDGA-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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
38
H-bond acceptors
10
H-bond donors
1
Rotatable bonds
9
Ring count
4
Aromatic rings
4
Topological polar surface area
129.73 Ų
Computed LogP
4.52
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
Dimethyl 5-(2-((3-allyl-5-(5-methylfuran-2-yl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)isophthalate (CAS 379236-78-9) is maintained as a commercial cas reference with formula C26H23N3O7S2, molecular weight 553.
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.