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CAS 932710-52-6 Crotonaldehyde O-2,3,4,5,6-PFBHA-oxime molecular structure lightbox
CAS RN: 932710-52-6

Crotonaldehyde O-2,3,4,5,6-PFBHA-oxime

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260223 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS932710-52-6
  • Purity/Analytical Methods: >99.0%
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932710-52-6 / N-[(2,3,4,5,6-pentafluorophenyl)methoxy]but-2-en-1-imine

Standard CAS: 932710-52-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
932710-52-6
Multi CAS
Yes
Molecular Formula
C11F5H8NO
Molecular Weight
265.180000
Exact Mass
265.052605
InChI
InChI=1S/C11H8F5NO/c1-2-3-4-17-18-5-6-7(12)9(14)11(16)10(15)8(6)13/h2-4H,5H2,1H3/b3-2+,17-4+
InChIKey
QNPFFCQTVXPCLD-GFJWLWTISA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
54.33
TPSA
21.59

LogP / Solubility

WLOGP
3.46
MLOGP
3.05
XLogP3
3.1
Consensus LogP
3.2
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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