CAS RN: 7270-83-9
7-ACETOXY-1-METHYLQUINOLINIUM IODIDE
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.20260105 | 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS7270-83-9
- Purity/Analytical Methods: >99.0%
7270-83-9 / (1-methylquinolin-1-ium-7-yl) acetate iodide
Basic Information
CAS
7270-83-9
Multi CAS
Yes
Molecular Formula
C12H12InO2
Molecular Weight
329.130000
Exact Mass
328.991280
InChI
InChI=1S/C12H12NO2.HI/c1-9(14)15-11-6-5-10-4-3-7-13(2)12(10)8-11;/h3-8H,1-2H3;1H/q+1;/p-1
InChIKey
IFUAVRXVEJBLFI-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.43
TPSA
30.18
LogP / Solubility
WLOGP
-1.41
MLOGP
-1.22
XLogP3
-1.41
Consensus LogP
-1.35
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.75
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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