Research chemical
CAS Number: 514187-59-8
![5-[4-(Tert-butyl)phenyl]-3-hydroxy-1-(6-methoxybenzothiazol-2-yl)-4-(2-thienyl carbonyl)-3-pyrrolin-2-one molecular structure, CAS 514187-59-8](/structure-images/514187-59-8.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
3800552
Exact Mass
504.11775
InChIKey
DJVAUPUDFGCTKL-UHFFFAOYSA-N
IUPAC Name
2-(4-tert-butylphenyl)-4-hydroxy-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILES String
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)C3c3ccc(C(C)(C)C)cc3)sc2c1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
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.
5-[4-(Tert-butyl)phenyl]-3-hydroxy-1-(6-methoxybenzothiazol-2-yl)-4-(2-thienyl carbonyl)-3-pyrrolin-2-one is identified by CAS 514187-59-8, with molecular formula C27H24N2O4S2, molecular weight 504.6, InChIKey DJVAUPUDFGCTKL-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.
Heavy atom count
35
H-bond acceptors
6
H-bond donors
1
Rotatable bonds
5
Ring count
5
Aromatic rings
4
Topological polar surface area
79.73 Ų
Computed LogP
6.45
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
5-[4-(Tert-butyl)phenyl]-3-hydroxy-1-(6-methoxybenzothiazol-2-yl)-4-(2-thienyl carbonyl)-3-pyrrolin-2-one (CAS 514187-59-8) is maintained as a commercial cas reference with formula C27H24N2O4S2, molecular weight 504. 60 g/mol, PubChem CID 3800552.
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.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.