CAS RN: 20185-22-2
1,4,5-Trimethyl-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.20260527 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS20185-22-2
- Purity/Analytical Methods: >99.0%
20185-22-2 / 1,4,5-trimethylimidazole
Basic Information
CAS
20185-22-2
Multi CAS
No
Molecular Formula
C6H10N2
Molecular Weight
110.160000
Exact Mass
110.084398
SMILES
CC1=C(N(C=N1)C)C
InChI
InChI=1S/C6H10N2/c1-5-6(2)8(3)4-7-5/h4H,1-3H3
InChIKey
RDTIFYBSPQERAS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
2
Molar refractivity
32.68
TPSA
17.82
LogP / Solubility
WLOGP
1.04
MLOGP
0.9
XLogP3
0.8
Consensus LogP
0.91
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
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)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
BACLIGHT(TM) GREEN BACTERIAL STAIN
- CAS RN: 201860-17-5
- Product Code: starshine_CAS201860-17-5
- Purity/Analytical method: >99.0%
-
Magnolioside
- CAS RN: 20186-29-2
- Product Code: starshine_CAS20186-29-2
- Purity/Analytical method: >99.0%
-
-
