Research chemical
CAS Number: 131860-33-8
Product details
For laboratory research and professional procurement workflows.
PubChem CID
3034285
Exact Mass
403.116821
InChIKey
WFDXOXNFNRHQEC-GHRIWEEISA-N
IUPAC Name
methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
SMILES String
CO/C=C(/C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1
Melting Point
114–116 °C
Density
1.33 g/cm³
Vapor Pressure
Estimated value, unit not specified
XLogP
3.7
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
30
H-bond acceptors
8
H-bond donors
0
Rotatable bonds
7
Ring count
3
Aromatic rings
3
Topological polar surface area
103.56 Ų
Computed LogP
4.09
Structural features
Azoxystrobin (CAS 131860-33-8) is listed in the Life Science portfolio, with molecular formula C22H17N3O5 and molecular weight 403. 40 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for life-science research and analytical workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Danger; hazard codes: H331, H410; For research use only.
ChEMBL reports experimental activity evidence for: Estrogen receptor (Homo sapiens) — 2 assays; Peroxisome proliferator-activated receptor gamma (Homo sapiens) — 2 assays; Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Estrogen receptor
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Procurement notes
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Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Final quote depends on quantity, lead time, destination, and supplier confirmation.
Azoxystrobin is listed as in-stock / available for research-use sourcing review. Final availability, lot specification, and lead time are confirmed by RFQ.
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.
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.
Peroxisome proliferator-activated receptor gamma
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Tyrosyl-DNA phosphodiesterase 1
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestSignal word: Danger
Supplier SDS reference cue; confirm supplier documentation before use.
Hazard statements: H331, H410
Supplier SDS hazard code reference; confirm full text in supplier documentation.
Precautionary statements: P261, P271, P273, P304+P340+P311, P391, P403+P233, P405, P501
Supplier SDS precautionary code reference; confirm full text in supplier documentation.
Shipment review: Required
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.