CAS RN: 1417782-03-6
Mefentrifluconazole
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250416 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250904 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250415 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250915 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260308 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250826 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1417782-03-6
- Purity/Analytical Methods: >99.0%
1417782-03-6 / 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol
Basic Information
CAS
1417782-03-6
Multi CAS
No
Molecular Formula
C18H15ClF3N3O2
Molecular Weight
397.800000
Exact Mass
397.080489
SMILES
CC(CN1C=NC=N1)(C2=C(C=C(C=C2)OC3=CC=C(C=C3)Cl)C(F)(F)F)O
InChI
InChI=1S/C18H15ClF3N3O2/c1-17(26,9-25-11-23-10-24-25)15-7-6-14(8-16(15)18(20,21)22)27-13-4-2-12(19)3-5-13/h2-8,10-11,26H,9H2,1H3
InChIKey
JERZEQUMJNCPRJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
17
Fraction Csp3
0.22
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
92.56
TPSA
60.17
LogP / Solubility
WLOGP
4.65
MLOGP
4.12
XLogP3
4
Consensus LogP
4.26
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.71
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
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]
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501
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