Research chemical
CAS Number: 331973-86-5
![tetramethyl 6-([1,1'-biphenyl]-2-ylcarbonyl)-5,5,9-trimethyl-5,6-dihydrospiro(1H-thiopyrano[2,3-c]quinoline-1,2'-[1,3]-dithiole)-2,3,4',5'-tetracarboxylate molecular structure, CAS 331973-86-5](/structure-images/331973-86-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
3116600
Exact Mass
743.131745
InChIKey
AWMBDPUGHKMANY-UHFFFAOYSA-N
IUPAC Name
tetramethyl 5',5',9'-trimethyl-6'-(2-phenylbenzoyl)spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
SMILES String
COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2cc(C)ccc2N(C(=O)c2ccccc2-c2ccccc2)C1(C)C
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.
tetramethyl 6-([1,1'-biphenyl]-2-ylcarbonyl)-5,5,9-trimethyl-5,6-dihydrospiro(1H-thiopyrano[2,3-c]quinoline-1,2'-[1,3]-dithiole)-2,3,4',5'-tetracarboxylate is identified by CAS 331973-86-5, with molecular formula C38H33NO9S3, molecular weight 743.9, InChIKey AWMBDPUGHKMANY-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Ordering
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
51
H-bond acceptors
10
H-bond donors
0
Rotatable bonds
6
Ring count
6
Aromatic rings
3
Topological polar surface area
125.51 Ų
Computed LogP
6.89
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
90 g/mol, PubChem CID 3116600.
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.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.