CAS RN: 886496-98-6
2-AMINO-1-(1-METHYL-1 H-IMIDAZOL-2-YL)-ETHANOL
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.20260629 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS886496-98-6
- Purity/Analytical Methods: >99.0%
886496-98-6 / 2-amino-1-(1-methylimidazol-2-yl)ethanol
Basic Information
CAS
886496-98-6
Multi CAS
Yes
Molecular Formula
C6H11N3O
Molecular Weight
141.170000
Exact Mass
141.090212
InChI
InChI=1S/C6H11N3O/c1-9-3-2-8-6(9)5(10)4-7/h2-3,5,10H,4,7H2,1H3
InChIKey
AJOFBNLXIBLIPM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
37.22
TPSA
64.07
LogP / Solubility
WLOGP
-0.59
MLOGP
-0.52
XLogP3
-1.7
Consensus LogP
-0.94
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-0.29
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.33
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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