Research chemical
CAS Number: 612825-70-4
![2-[[3,4,5,6,7,8-Hexahydro-3-(4-methylphenyl)-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl]thio]acetic acid 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylene]hydrazide molecular structure, CAS 612825-70-4](/structure-images/612825-70-4.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
1558417
Exact Mass
564.150112
InChIKey
RUROVCGQEILDEA-UHFFFAOYSA-N
IUPAC Name
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
SMILES String
COc1cc(C=NNC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc(OC)c1O
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.
2-[[3,4,5,6,7,8-Hexahydro-3-(4-methylphenyl)-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl]thio]acetic acid 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylene]hydrazide is identified by CAS 612825-70-4, with molecular formula C28H28N4O5S2, molecular weight 564.7, InChIKey RUROVCGQEILDEA-UHFFFAOYSA-N.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
39
H-bond acceptors
9
H-bond donors
2
Rotatable bonds
8
Ring count
5
Aromatic rings
4
Topological polar surface area
115.04 Ų
Computed LogP
4.6
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
70 g/mol, PubChem CID 1558417.
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.
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