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CAS 262862-70-4 4-(4-Chlorophenoxy)benzaldehyde Oxime molecular structure lightbox
CAS RN: 262862-70-4

4-(4-Chlorophenoxy)benzaldehyde Oxime

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250916 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS262862-70-4
  • Purity/Analytical Methods: >99.0%
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262862-70-4 / N-[[4-(4-chlorophenoxy)phenyl]methylidene]hydroxylamine

Standard CAS: 262862-70-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
262862-70-4
Multi CAS
No
Molecular Formula
C13H10ClNO2
Molecular Weight
247.670000
Exact Mass
247.040006
SMILES
C1=CC(=CC=C1C=NO)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H10ClNO2/c14-11-3-7-13(8-4-11)17-12-5-1-10(2-6-12)9-15-16/h1-9,16H/b15-9+
InChIKey
XLAAMNHYXQWXPI-OQLLNIDSSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.35
TPSA
41.82

LogP / Solubility

WLOGP
3.94
MLOGP
3.47
XLogP3
4.2
Consensus LogP
3.87
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.43

Drug-likeness / Medicinal Chemistry

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

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