CAS RN: 83413-07-4
2-(methyl-d3)-1H-imidazole
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.20250615 | 20mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINH889799
83413-07-4 / 2-(trideuteriomethyl)-1H-imidazole
Basic Information
CAS
83413-07-4
Multi CAS
No
Molecular Formula
C4H6N2
Molecular Weight
85.120000
Exact Mass
85.071928
InChI
InChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)/i1D3
InChIKey
LXBGSDVWAMZHDD-FIBGUPNXSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
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
0.2
Consensus LogP
0.51
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.79
Class (SILICOS-IT)
Very 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)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
