CAS RN: 634-35-5
Quinoline Ethiodide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260209 | 25g / 50g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTE0173
- Purity/Analytical Methods: >98.0%(T)(HPLC)
634-35-5 / 1-ethylquinolin-1-ium iodide
Basic Information
CAS
634-35-5
Multi CAS
Yes
Molecular Formula
C11H12In
Molecular Weight
285.120000
Exact Mass
285.001450
InChI
InChI=1S/C11H12N.HI/c1-2-12-9-5-7-10-6-3-4-8-11(10)12;/h3-9H,2H2,1H3;1H/q+1;/p-1
InChIKey
PMYUGMDDIBOXQM-UHFFFAOYSA-M
Physical Properties
Physical Description
Yellow or brown crystalline powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
49.82
TPSA
3.88
LogP / Solubility
WLOGP
-0.85
MLOGP
-0.74
XLogP3
-0.85
Consensus LogP
-0.81
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.93
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
