CAS RN: 77542-18-8
PiperidiniuM, 1-ethyl-1-Methyl-4-oxo-, iodide (1:1)
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250618 | 1g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250826 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260102 | 25g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260203 | 5g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
- Product code: starshine_CAS77542-18-8
- Purity/Analytical Methods: >99.0%
77542-18-8 / 1-ethyl-1-methylpiperidin-1-ium-4-one iodide
Basic Information
CAS
77542-18-8
Multi CAS
No
Molecular Formula
C8H16InO
Molecular Weight
269.120000
Exact Mass
269.027660
InChI
InChI=1S/C8H16NO.HI/c1-3-9(2)6-4-8(10)5-7-9;/h3-7H2,1-2H3;1H/q+1;/p-1
InChIKey
PIDODLRGSKHQDP-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
40.7
TPSA
17.07
LogP / Solubility
WLOGP
-2.18
MLOGP
-1.91
XLogP3
-2.18
Consensus LogP
-2.09
Log S (ESOL)
-0.07
Class (ESOL)
Very soluble
Log S (Ali)
-0.19
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.28
Class (SILICOS-IT)
Highly 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)
-5.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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