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Computed Structure Descriptors
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What are the key identifiers for Methyl 4-[[2-[5-(5-methylfuran-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]benzoate (CAS 379236-37-0)?
Methyl 4-[[2-[5-(5-methylfuran-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]benzoate is identified by CAS 379236-37-0, with molecular formula C27H21N3O5S2, molecular weight 531.6, InChIKey AWZXTXIRNIXHDP-UHFFFAOYSA-N.
Can I request a COA for CAS 379236-37-0?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for Methyl 4-[[2-[5-(5-methylfuran-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]benzoate?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 379236-37-0 available for quotation?
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Show calculated structure fields
Heavy atom count
37
H-bond acceptors
8
H-bond donors
1
Rotatable bonds
7
Ring count
5
Aromatic rings
5
Topological polar surface area
103.43 Ų
Computed LogP
5.53
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.
Catalog Facts
Structural features
Methyl 4-[[2-[5-(5-methylfuran-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]benzoate (CAS 379236-37-0) is maintained as a commercial cas reference with formula C27H21N3O5S2, molecular weight 531. 60 g/mol, PubChem CID 2139599.
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.
![Methyl 4-[[2-[5-(5-methylfuran-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]benzoate molecular structure, CAS 379236-37-0](/structure-images/379236-37-0.png?v=struct-v2)