CAS RN: 99979-67-6
Imidazole, 5-amino-1-ethyl- (6CI), 97%(HPLC)
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.20260502 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINI926727
99979-67-6 / 3-ethylimidazol-4-amine
Basic Information
CAS
99979-67-6
Multi CAS
No
Molecular Formula
C5H9N3
Molecular Weight
111.150000
Exact Mass
111.079647
SMILES
CCN1C=NC=C1N
InChI
InChI=1S/C5H9N3/c1-2-8-4-7-3-5(8)6/h3-4H,2,6H2,1H3
InChIKey
FRGOABOETDHPKC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.31
TPSA
43.84
LogP / Solubility
WLOGP
0.49
MLOGP
0.42
Consensus LogP
0.3
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-0.82
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.91
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)
-3.05
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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