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CAS 175013-18-0 Pyraclostrobin molecular structure lightbox
CAS RN: 175013-18-0

Pyraclostrobin

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250111 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250923 1g In stock Shanghai Inquiry
Batchno.20250429 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS175013-18-0
  • Purity/Analytical Methods: >99.0%
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175013-18-0 / methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate

Standard CAS: 175013-18-0 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
175013-18-0
Multi CAS
No
Molecular Formula
C19H18ClN3O4
Molecular Weight
387.800000
Exact Mass
387.098584
SMILES
COC(=O)N(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3
InChIKey
HZRSNVGNWUDEFX-UHFFFAOYSA-N

Physical Properties

Melting Point
63.7 to 65.2 °C
Density
1.285 g/cu cm at 20 °C[Health Canada; Regulatory Note: Pyraclostrobin-Headline EC-Cabrio EG (REG2003-06); Pest Management Regulatory Agency (2003)
Physical Description
White or light beige solid; [Merck Index]
Appearance
White or light beige crystalline solid
State
Solid
Storage Conditions
Store in original containers only. Keep container closed when not in use. DO NOT store near food or feed. /Headline/ 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.

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
17
Fraction Csp3
0.16
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
101.24
TPSA
65.82

LogP / Solubility

WLOGP
4.24
MLOGP
3.75
XLogP3
4.1
Consensus LogP
4.03
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.42
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.08

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 Health Hazard Environmental Hazard Irritant
Signal
Danger Warning
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral] H315: Causes skin irritation [Warning Skin corrosion/irritation] H331: Toxic if inhaled [Danger Acute toxicity, inhalation] H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H361d: Suspected of damaging the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P260, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P316, P318, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 P261, P264, P271, P273, P280, P302+P352, P304+P340, P316, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 P203, P261, P271, P273, P280, P304+P340, P318, P319, P391, P403+P233, P405, and P501 P260, P261, P264, P270, P271, P304+P340, P308+P316, P316, P319, P321, P332+P317, P403+P233, P405, and P501

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