CAS RN: 46201-07-4
Cobalt 2-methylimidazole (ZIF-67), 98.5%, SSA: 1280 m2/g
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock3 grade groups
- Product code: starshine_CAS46201-07-4
- Purity/Analytical Methods: >99.0%
46201-07-4 / cobalt;2-methyl-1H-imidazole
Basic Information
CAS
46201-07-4
Multi CAS
Yes
Molecular Formula
C5H6N2O
Molecular Weight
141.040000
Exact Mass
140.986292
InChI
InChI=1S/2C4H5N2.Co/c2*1-4-5-2-3-6-4;/h2*2-3H,1H3;/q2*-1;+2
InChIKey
KRQKZTCYIWEUIV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
1
H-bond donors
1
Molar refractivity
23.32
TPSA
28.68
LogP / Solubility
WLOGP
0.72
MLOGP
0.62
XLogP3
0.72
Consensus LogP
0.69
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
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)
-3.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 46246-91-7 6-benzyl-2-oxa-6-azaspiro[3.3]heptane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/46246-91-7.gif)
