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CAS 588-95-4 4-FLUOROBENZALDEHYDE OXIME molecular structure lightbox
CAS RN: 588-95-4

4-FLUOROBENZALDEHYDE OXIME

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251011 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS588-95-4
  • Purity/Analytical Methods: >99.0%
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588-95-4 / N-[(4-fluorophenyl)methylidene]hydroxylamine

Standard CAS: 588-95-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
588-95-4
Multi CAS
Yes
Molecular Formula
C7FH6NO
Molecular Weight
139.130000
Exact Mass
139.043342
InChI
InChI=1S/C7H6FNO/c8-7-3-1-6(2-4-7)5-9-10/h1-5,10H
InChIKey
FSKSLWXDUJVTHE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.78
TPSA
32.59

LogP / Solubility

WLOGP
1.63
MLOGP
1.43
XLogP3
2
Consensus LogP
1.69
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41

Drug-likeness / Medicinal Chemistry

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

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