CAS RN: 1026249-18-2
CL097
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.20260406 | 5mg / 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1026249-18-2
- Purity/Analytical Methods: >99.0%
1026249-18-2 / 2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-4-amine
CL097 | 2-(Ethoxymethyl)-1h-Imidazo[4,5-C]quinolin-4-Amine | 2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-4-amine
Basic Information
CAS
1026249-18-2
Multi CAS
Yes
Molecular Formula
C13H14N4O
Molecular Weight
242.280000
Exact Mass
242.116761
SMILES
CCOCC1=NC2=C(N1)C(=NC3=CC=CC=C32)N
InChI
InChI=1S/C13H14N4O/c1-2-18-7-10-16-11-8-5-3-4-6-9(8)15-13(14)12(11)17-10/h3-6H,2,7H2,1H3,(H2,14,15)(H,16,17)
InChIKey
DEVCLHVFELRPIU-UHFFFAOYSA-N
Synonyms
CL097
2-(Ethoxymethyl)-1h-Imidazo[4,5-C]quinolin-4-Amine
2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-4-amine
orb1303677
SCHEMBL4763415
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
13
Fraction Csp3
0.23
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
71.14
TPSA
76.82
LogP / Solubility
WLOGP
2.23
MLOGP
1.97
XLogP3
1.5
Consensus LogP
1.9
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly 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)
-2.61
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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