![CAS 823809-16-1 1H-IMIDAZO[4,5-C]QUINOLINE-1-PROPANAMINE,4-AMINO-2-(ETHOXYMETHYL) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/823809-16-1.gif)
CAS RN: 823809-16-1
1H-IMIDAZO[4,5-C]QUINOLINE-1-PROPANAMINE,4-AMINO-2-(ETHOXYMETHYL)
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250823 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS823809-16-1
- Purity/Analytical Methods: >99.0%
823809-16-1 / 1-(3-aminopropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
Basic Information
CAS
823809-16-1
Multi CAS
Yes
Molecular Formula
C16H21N5O
Molecular Weight
299.370000
Exact Mass
299.174610
InChI
InChI=1S/C16H21N5O/c1-2-22-10-13-20-14-15(21(13)9-5-8-17)11-6-3-4-7-12(11)19-16(14)18/h3-4,6-7H,2,5,8-10,17H2,1H3,(H2,18,19)
InChIKey
HVJUMTMMTHTXOF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
13
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
88.45
TPSA
91.98
LogP / Solubility
WLOGP
2.05
MLOGP
1.82
XLogP3
0.8
Consensus LogP
1.56
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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