Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2135480-21-4 / potassium cyclobutylmethyl(trifluoro)boranuide
Basic Information
CAS
2135480-21-4
Multi CAS
No
Molecular Formula
C5H9BF3K
Molecular Weight
176.030000
Exact Mass
176.038646
SMILES
[B-](CC1CCC1)(F)(F)F.[K+]
InChI
InChI=1S/C5H9BF3.K/c7-6(8,9)4-5-2-1-3-5;/h5H,1-4H2;/q-1;+1
InChIKey
CRVANUKYRAMQEY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
31.23
TPSA
0.0000
LogP / Solubility
WLOGP
-0.36
MLOGP
-0.32
XLogP3
-0.36
Consensus LogP
-0.35
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
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)
-4.05
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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