CAS RN: 15933-15-0

ZIF-9(Co)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250425 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS15933-15-0
  • Purity/Analytical Methods: >99.0%
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15933-15-0 / 1H-benzimidazole;cobalt

Standard CAS: 15933-15-0 Multi CAS: No

Basic Information

CAS
15933-15-0
Multi CAS
No
Molecular Formula
C7H6CoN2
Molecular Weight
177.070000
Exact Mass
176.986292
SMILES
C1=CC=C2C(=C1)NC=N2.[Co]
InChI
InChI=1S/C7H6N2.Co/c1-2-4-7-6(3-1)8-5-9-7;/h1-5H,(H,8,9);
InChIKey
VVGYIRLCKJNMTR-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)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
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)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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