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CAS 888711-52-2 Potassium N-cyclohexyl-aminomethyltrifluoroborate molecular structure lightbox
CAS RN: 888711-52-2

Potassium N-cyclohexyl-aminomethyltrifluoroborate

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251116 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260416 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250801 5g Out of stock Inquiry
  • Product code: starshine_CAS888711-52-2
  • Purity/Analytical Methods: >99.0%
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888711-52-2 / potassium (cyclohexylamino)methyl-trifluoroboranuide

Standard CAS: 888711-52-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
888711-52-2
Multi CAS
Yes
Molecular Formula
BC7F3H14KN
Molecular Weight
219.100000
Exact Mass
219.080846
InChI
InChI=1S/C7H14BF3N.K/c9-8(10,11)6-12-7-4-2-1-3-5-7;/h7,12H,1-6H2;/q-1;+1
InChIKey
GYUWPHIATXXXJT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.95
TPSA
12.03

LogP / Solubility

WLOGP
-0.7
MLOGP
-0.61
XLogP3
-0.7
Consensus LogP
-0.67
Log S (ESOL)
-0.56
Class (ESOL)
Very soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
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)
-4.55

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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