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CAS 35321-46-1 1-hydroxy-1H-imidazole 3-oxide molecular structure lightbox
CAS RN: 35321-46-1

1-hydroxy-1H-imidazole 3-oxide

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260403 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS35321-46-1
  • Purity/Analytical Methods: >99.0%
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35321-46-1 / 1-hydroxy-3-oxidoimidazol-3-ium

Standard CAS: 35321-46-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35321-46-1
Multi CAS
Yes
Molecular Formula
C3H4N2O2
Molecular Weight
100.080000
Exact Mass
100.027277
InChI
InChI=1S/C3H4N2O2/c6-4-1-2-5(7)3-4/h1-3,6H
InChIKey
RYPGITDSPOPEKC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
20.58
TPSA
52.1

LogP / Solubility

WLOGP
-0.64
MLOGP
-0.58
XLogP3
-0.2
Consensus LogP
-0.47
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
0.08
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.22
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-3.79

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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