![CAS 1258457-59-8 1H-Imidazo[4,5-c]quinolin-4-amine, 1-[[4-(aminomethyl)phenyl]methyl]-2-butyl- HCL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1258457-59-8.gif)
CAS RN: 1258457-59-8
1H-Imidazo[4,5-c]quinolin-4-amine, 1-[[4-(aminomethyl)phenyl]methyl]-2-butyl- HCL
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250407 | 100mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20260316 | 1g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20260329 | 250mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20250726 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250426 | 25mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
| Batchno.20250620 | 50mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20250628 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1258457-59-8
- Purity/Analytical Methods: >99.0%
1258457-59-8 / 1-[[4-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine
Basic Information
CAS
1258457-59-8
Multi CAS
No
Molecular Formula
C22H25N5
Molecular Weight
359.500000
Exact Mass
359.210996
SMILES
CCCCC1=NC2=C(N1CC3=CC=C(C=C3)CN)C4=CC=CC=C4N=C2N
InChI
InChI=1S/C22H25N5/c1-2-3-8-19-26-20-21(17-6-4-5-7-18(17)25-22(20)24)27(19)14-16-11-9-15(13-23)10-12-16/h4-7,9-12H,2-3,8,13-14,23H2,1H3,(H2,24,25)
InChIKey
SDSKFWHQCNBICO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
19
Fraction Csp3
0.27
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
111.49
TPSA
82.75
LogP / Solubility
WLOGP
4.02
MLOGP
3.55
XLogP3
3.5
Consensus LogP
3.69
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.05
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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