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CAS 2089-33-0 1-(4-Methylphenyl)ethanone oxime molecular structure lightbox
CAS RN: 2089-33-0

1-(4-Methylphenyl)ethanone oxime

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250730 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2089-33-0
  • Purity/Analytical Methods: >99.0%
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2089-33-0 / (NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine

Standard CAS: 2089-33-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2089-33-0
Multi CAS
No
Molecular Formula
C9H11NO
Molecular Weight
149.190000
Exact Mass
149.084064
SMILES
CC1=CC=C(C=C1)/C(=N/O)/C
InChI
InChI=1S/C9H11NO/c1-7-3-5-9(6-4-7)8(2)10-11/h3-6,11H,1-2H3/b10-8+
InChIKey
XAAUYUMBCPRWED-CSKARUKUSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.18
TPSA
32.59

LogP / Solubility

WLOGP
2.19
MLOGP
1.92
XLogP3
2.4
Consensus LogP
2.17
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-2.07

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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