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CAS 32597-34-5 PYRROLE-2-CARBOXALDOXIME molecular structure lightbox
CAS RN: 32597-34-5

PYRROLE-2-CARBOXALDOXIME

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260426 1g In stock Shandong Inquiry
  • Product code: starshine_CAS32597-34-5
  • Purity/Analytical Methods: >99.0%
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32597-34-5 / N-(1H-pyrrol-2-ylmethylidene)hydroxylamine

Standard CAS: 32597-34-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
32597-34-5
Multi CAS
Yes
Molecular Formula
C5H6N2O
Molecular Weight
110.110000
Exact Mass
110.048013
InChI
InChI=1S/C5H6N2O/c8-7-4-5-2-1-3-6-5/h1-4,6,8H/b7-4+
InChIKey
BBRQKFAQWZJCJL-QPJJXVBHSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.17
TPSA
48.38

LogP / Solubility

WLOGP
0.82
MLOGP
0.71
XLogP3
0.9
Consensus LogP
0.81
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.18
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)
-2.81

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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