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CAS 1121-47-7 2-FURALDEHYDE OXIME molecular structure lightbox
CAS RN: 1121-47-7

2-FURALDEHYDE OXIME

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250915 100mg / 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Guangdong Inquiry
  • Product code: starshine_CAS1121-47-7
  • Purity/Analytical Methods: >99.0%
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1121-47-7 / (NE)-N-(furan-2-ylmethylidene)hydroxylamine

furan-2-carbaldehyde oxime | Furfuraldoxime | 2-Furancarboxaldehyde, oxime, (Z)-

Standard CAS: 1121-47-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1121-47-7
Multi CAS
Yes
Molecular Formula
C5H5NO2
Molecular Weight
111.100000
Exact Mass
111.032028
SMILES
C1=COC(=C1)/C=N/O
InChI
InChI=1S/C5H5NO2/c7-6-4-5-2-1-3-8-5/h1-4,7H/b6-4+
InChIKey
UYTMLDBQFLIQJA-GQCTYLIASA-N
Synonyms
furan-2-carbaldehyde oxime Furfuraldoxime 2-Furancarboxaldehyde, oxime, (Z)- N-(furan-2-ylmethylidene)hydroxylamine Furfuraldoxim

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
28.09
TPSA
45.73

LogP / Solubility

WLOGP
1.09
MLOGP
0.95
XLogP3
0.7
Consensus LogP
0.91
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
Class (SILICOS-IT)
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)
-2.63

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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