Research chemical
CAS Number: 1096588-35-0
![4-ethyl-5-methoxy-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]phenol molecular structure, CAS 1096588-35-0](/structure-images/1096588-35-0.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
854960
Exact Mass
329.119798
InChIKey
UXWVYYGJCPIHGC-UHFFFAOYSA-N
SMILES String
CCc1cc(-c2n[nH]c(C)c2-c2nc(C)cs2)c(O)cc1OC
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.
4-ethyl-5-methoxy-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]phenol is identified by CAS 1096588-35-0, with molecular formula C17H19N3O2S, molecular weight 329.4, InChIKey UXWVYYGJCPIHGC-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Nuclear receptor ROR-gamma, Isocitrate dehydrogenase [NADP] cytoplasmic. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Heavy atom count
23
H-bond acceptors
5
H-bond donors
2
Rotatable bonds
4
Ring count
3
Aromatic rings
3
Topological polar surface area
71.03 Ų
Computed LogP
4.09
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
4-ethyl-5-methoxy-2-[5-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]phenol (CAS 1096588-35-0) is maintained as a cataloged research chemical with formula C17H19N3O2S, molecular weight 329. 40 g/mol, PubChem CID 854960.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
ChEMBL reports experimental activity evidence for: Nuclear receptor ROR-gamma (Mus musculus) — 2 assays; Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Nuclear receptor ROR-gamma
Mus musculus · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.9
Experimental evidence source: ChEMBL
Isocitrate dehydrogenase [NADP] cytoplasmic
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.