CAS RN: 143130-94-3
(Z)-Azoxystrobin
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250126 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS143130-94-3
- Purity/Analytical Methods: >99.0%
143130-94-3 / methyl (Z)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
Basic Information
CAS
143130-94-3
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-LGMDPLHJSA-N
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
Signal
Danger
GHS Hazard Statements
H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P271, P273, P304+P340, P316, P321, P391, P403+P233, P405, and P501
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