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CAS 131860-33-8 Azoxystrobin, analytical reference molecular structure lightbox
CAS RN: 131860-33-8

Azoxystrobin, analytical reference

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10 package records5 with current stock7 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250713 1.2ml Out of stock 5-7 business days Inquiry
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Batchno.20260410 1.2ml Out of stock 8-10 business days Inquiry
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Batchno.20251130 1.2ml Out of stock 5-7 business days Inquiry
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Batchno.20260414 1.2ml Out of stock 5-7 business days Inquiry
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Batchno.20260628 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
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Batchno.20250819 250mg In stock Shanghai, Shandong Inquiry
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Batchno.20250815 100mg In stock Inquiry
Batchno.20260206 1g Out of stock Inquiry
Batchno.20250813 250mg In stock Inquiry
Batchno.20250709 500mg In stock Inquiry
  • Product code: SSC-038947
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 131860-33-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

131860-33-8 / methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate

Standard CAS: 131860-33-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
131860-33-8
Multi CAS
No
Molecular Formula
C22H17N3O5
Molecular Weight
403.400000
Exact Mass
403.116821
SMILES
CO/C=C(\C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)/C(=O)OC
InChI
InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+
InChIKey
WFDXOXNFNRHQEC-GHRIWEEISA-N

Physical Properties

Melting Point
116 °C MP: 114-116 °C /Technical/
Density
1.33
Physical Description
White solid; [Merck Index] White crystalline solid
Appearance
White crystalline solid Powdery
State
Solid
Storage Conditions
Store commercial products in a well-ventilated, secure area out of the reach of children and domestic animals. Do not store food, beverages or tabacco in the storage area. Store in original containers only. Keep container closed when not in use. Do not store near food or feed. /Abound Flowable Fungicide/ Safe Storage of Pesticides. Always store pesticides in their original containers, complete with labels that list ingredients, directions for use, and first aid steps in case of accidental poisoning. Never store pesticides in cabinets with or near food, animal feed, or medical supplies. Do not store pesticides in places where flooding is possible or in places where they might spill or leak into wells, drains, ground water, or surface water. /Residential users/

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.09
Rotatable bonds
7
H-bond acceptors
8
Molar refractivity
106.78
TPSA
103.56

LogP / Solubility

WLOGP
4.09
MLOGP
3.63
XLogP3
3.7
Consensus LogP
3.81
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.52
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Acute Toxic Environmental Hazard Health Hazard
Signal
Danger
GHS Hazard Statements
H331: Toxic if inhaled [Danger Acute toxicity, inhalation] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H331 (99.6%): Toxic if inhaled [Danger Acute toxicity, inhalation] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P261, P271, P273, P304+P340, P316, P321, P391, P403+P233, P405, and P501 P260, P261, P264, P270, P271, P273, P304+P340, P308+P316, P316, P321, P391, P403+P233, P405, and P501 P261, P271, P304+P340, P316, P321, P403+P233, P405, and P501

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