CAS RN: 64269-81-4
BIS-(IMIDAZOL-2-YL)-METHANE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260415 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS64269-81-4
- Purity/Analytical Methods: >99.0%
64269-81-4 / 2-(1H-imidazol-2-ylmethyl)-1H-imidazole
Basic Information
CAS
64269-81-4
Multi CAS
No
Molecular Formula
C7H8N4
Molecular Weight
148.170000
Exact Mass
148.074896
InChI
InChI=1S/C7H8N4/c1-2-9-6(8-1)5-7-10-3-4-11-7/h1-4H,5H2,(H,8,9)(H,10,11)
InChIKey
DKWVMFVZPTZPJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
10
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.98
TPSA
57.36
LogP / Solubility
WLOGP
0.72
MLOGP
0.63
XLogP3
0.2
Consensus LogP
0.52
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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)
-3.11
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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