CAS RN: 252913-85-2
TRIFLOXYSTROBIN METABOLITE CGA 321113, PESTANAL(R), ANALYTICAL STANDARD
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.20260416 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS252913-85-2
- Purity/Analytical Methods: >99.0%
252913-85-2 / (2Z)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetic acid
Basic Information
CAS
252913-85-2
Multi CAS
Yes
Molecular Formula
C19F3H17N2O4
Molecular Weight
394.300000
Exact Mass
394.114042
InChI
InChI=1S/C19H17F3N2O4/c1-12(13-7-5-8-15(10-13)19(20,21)22)23-28-11-14-6-3-4-9-16(14)17(18(25)26)24-27-2/h3-10H,11H2,1-2H3,(H,25,26)/b23-12+,24-17+
InChIKey
ISZQNKFXNXQTTF-NACSPRHISA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
96.07
TPSA
80.48
LogP / Solubility
WLOGP
4.08
MLOGP
3.61
XLogP3
4.6
Consensus LogP
4.1
Log S (ESOL)
-4.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.45
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)
-2.23
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
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