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Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
982786
Exact Mass
455.133734
InChIKey
RSOVKQRSEMDJBO-UHFFFAOYSA-N
SMILES String
C=CCn1c(SCC(=O)Nc2ccccc2OCC)nc2sc3c(c2c1=O)CCCC3
Physical Properties
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Catalog navigation
Related Catalog Entries
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
What are the key identifiers for N-(2-ethoxyphenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide (CAS 379250-47-2)?
N-(2-ethoxyphenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide is identified by CAS 379250-47-2, with molecular formula C23H25N3O3S2, molecular weight 455.6, InChIKey RSOVKQRSEMDJBO-UHFFFAOYSA-N.
Can I request a COA for CAS 379250-47-2?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for N-(2-ethoxyphenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 379250-47-2 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Show calculated structure fields
Heavy atom count
31
H-bond acceptors
6
H-bond donors
1
Rotatable bonds
8
Ring count
4
Aromatic rings
3
Topological polar surface area
73.22 Ų
Computed LogP
4.65
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
N-(2-ethoxyphenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide (CAS 379250-47-2) is maintained as a commercial cas reference with formula C23H25N3O3S2, molecular weight 455. 60 g/mol, PubChem CID 982786.
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.
![N-(2-ethoxyphenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide molecular structure, CAS 379250-47-2](/structure-images/379250-47-2.png?v=struct-v2)