CAS RN: 876690-60-7
EMMPPF6
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250401 | 500g | Out of stock | Inquiry |
- Product code: starshine_CAS876690-60-7
- Purity/Analytical Methods: >99.0%
876690-60-7 / 4-butyl-4-methylmorpholin-4-ium hexafluorophosphate
Basic Information
CAS
876690-60-7
Multi CAS
No
Molecular Formula
C9F6H20NOP
Molecular Weight
303.230000
Exact Mass
303.118670
InChI
InChI=1S/C9H20NO.F6P/c1-3-4-5-10(2)6-8-11-9-7-10;1-7(2,3,4,5)6/h3-9H2,1-2H3;/q+1;-1
InChIKey
HYCYLWCXXUXQAW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
60.08
TPSA
9.23
LogP / Solubility
WLOGP
4.65
MLOGP
4.1
XLogP3
4.65
Consensus LogP
4.47
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.85
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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