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CAS 1062147-37-8 ZIF-90 molecular structure lightbox
CAS RN: 1062147-37-8

ZIF-90

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250528 100mg In stock Shanghai Inquiry
Batchno.20250319 1g In stock Shanghai Inquiry
Batchno.20251024 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1062147-37-8
  • Purity/Analytical Methods: >99.0%
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1062147-37-8 / 1H-imidazole-2-carbaldehyde;zinc

ZIF-90 | 1H-imidazole-2-carbaldehyde zinc | CS-0182928

Standard CAS: 1062147-37-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1062147-37-8
Multi CAS
Yes
Molecular Formula
C4H4N2OZn
Molecular Weight
161.500000
Exact Mass
159.961505
SMILES
C1=CN=C(N1)C=O.[Zn]
InChI
InChI=1S/C4H4N2O.Zn/c7-3-4-5-1-2-6-4;/h1-3H,(H,5,6);
InChIKey
YAGCJGCCZIARMJ-UHFFFAOYSA-N
Synonyms
ZIF-90 1H-imidazole-2-carbaldehyde zinc CS-0182928 RefChem:934517 ZIF-90(Zn)

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
23.98
TPSA
45.75

LogP / Solubility

WLOGP
0.22
MLOGP
0.19
XLogP3
0.22
Consensus LogP
0.21
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.01
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)
-3.55

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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