CAS RN: 1402345-98-5
Potassium ((cyclopropylamino)methyl)trifluoroborate
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.20260211 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINP905417
1402345-98-5 / potassium (cyclopropylamino)methyl-trifluoroboranuide
Basic Information
CAS
1402345-98-5
Multi CAS
No
Molecular Formula
C4H8BF3KN
Molecular Weight
177.020000
Exact Mass
177.033895
SMILES
[B-](CNC1CC1)(F)(F)F.[K+]
InChI
InChI=1S/C4H8BF3N.K/c6-5(7,8)3-9-4-1-2-4;/h4,9H,1-3H2;/q-1;+1
InChIKey
MJSKABFAUAQASP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
30.1
TPSA
12.03
LogP / Solubility
WLOGP
-1.87
MLOGP
-1.65
XLogP3
-1.87
Consensus LogP
-1.8
Log S (ESOL)
0.44
Class (ESOL)
Highly soluble
Log S (Ali)
0.34
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.38
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)
-5.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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