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CAS 24304-54-9 ZIF-11 molecular structure lightbox
CAS RN: 24304-54-9

ZIF-11

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4 package records0 with current stock2 grade groups
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Batchno.20260602 100mg / 1g Out of stock 8-10 business days Inquiry
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  • Product code: starshine_CAS24304-54-9
  • Purity/Analytical Methods: >99.0%
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24304-54-9 / 1H-benzimidazole;zinc

Standard CAS: 24304-54-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24304-54-9
Multi CAS
No
Molecular Formula
C7H6N2Zn
Molecular Weight
183.500000
Exact Mass
181.982240
SMILES
C1=CC=C2C(=C1)NC=N2.[Zn]
InChI
InChI=1S/2C7H5N2.Zn/c2*1-2-4-7-6(3-1)8-5-9-7;/h2*1-5H;/q2*-1;+2
InChIKey
MZIDPIMYRVJIGN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.09
TPSA
28.68

LogP / Solubility

WLOGP
1.56
MLOGP
1.37
XLogP3
1.56
Consensus LogP
1.5
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73

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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