CAS RN: 124225-99-6
BIS-(N-METHYLIMIDAZOL-2-YL)-METHANE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251105 | 50mg / 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS124225-99-6
- Purity/Analytical Methods: >99.0%
124225-99-6 / 1-methyl-2-[(1-methylimidazol-2-yl)methyl]imidazole
Basic Information
CAS
124225-99-6
Multi CAS
No
Molecular Formula
C9H12N4
Molecular Weight
176.220000
Exact Mass
176.106196
SMILES
CN1C=CN=C1CC2=NC=CN2C
InChI
InChI=1S/C9H12N4/c1-12-5-3-10-8(12)7-9-11-4-6-13(9)2/h3-6H,7H2,1-2H3
InChIKey
AXJPGQWLRSRHIW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
49.22
TPSA
35.64
LogP / Solubility
WLOGP
0.74
MLOGP
0.65
XLogP3
0.1
Consensus LogP
0.5
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-3.27
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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