![CAS 76180-96-6 2-AMINO-3-METHYL-3H-IMIDAZO[4,5-F]QUINOLINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/76180-96-6.gif)
CAS RN: 76180-96-6
2-AMINO-3-METHYL-3H-IMIDAZO[4,5-F]QUINOLINE
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250311 | 10mg / 50mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS76180-96-6
- Purity/Analytical Methods: >99.0%
76180-96-6 / 3-methylimidazo[4,5-f]quinolin-2-amine
Basic Information
CAS
76180-96-6
Multi CAS
Yes
Molecular Formula
C11H10N4
Molecular Weight
198.220000
Exact Mass
198.090546
InChI
InChI=1S/C11H10N4/c1-15-9-5-4-8-7(3-2-6-13-8)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)
InChIKey
ARZWATDYIYAUTA-UHFFFAOYSA-N
Physical Properties
Melting Point
greater than 572 °F (NTP, 1992)
>300 °C
300 °C
Physical Description
2-amino-3-methylimidazo(4,5-f)quinoline appears as light tan crystalline solid or tan powder. (NTP, 1992)
Tan solid; [CAMEO] Light grey to tan powder;
Solid
Appearance
Crystalline solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
13
Fraction Csp3
0.09
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.43
TPSA
56.73
LogP / Solubility
WLOGP
1.7
MLOGP
1.5
XLogP3
1.5
Consensus LogP
1.57
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72
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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