![CAS 853792-80-0 1-Ethyl-1H-imidazo[4,5-c]quinolin-4-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/853792-80-0.png)
CAS RN: 853792-80-0
1-Ethyl-1H-imidazo[4,5-c]quinolin-4-amine
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.20251226 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINE926651
853792-80-0 / 1-ethylimidazo[4,5-c]quinolin-4-amine
Basic Information
CAS
853792-80-0
Multi CAS
No
Molecular Formula
C12H12N4
Molecular Weight
212.250000
Exact Mass
212.106196
InChI
InChI=1S/C12H12N4/c1-2-16-7-14-10-11(16)8-5-3-4-6-9(8)15-12(10)13/h3-7H,2H2,1H3,(H2,13,15)
InChIKey
DCSYFLJHEAMUII-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
13
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.12
TPSA
56.73
LogP / Solubility
WLOGP
2.19
MLOGP
1.93
XLogP3
1.7
Consensus LogP
1.94
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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