CAS RN: 1041642-14-1
Potassium trans-2-methylcyclohexyltrifluoroborate
- Product code: SSC-005932
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 | Shanghai | Inquiry |
1041642-14-1 / potassium trifluoro-[(1R,2R)-2-methylcyclohexyl]boranuide
C7H13BF3K | potassium;trifluoro-[rac-(1S,2S)-2-methylcyclohexyl]boranuide | AKOS040767061
Basic Information
CAS
1041642-14-1
Multi CAS
Yes
Molecular Formula
C7H13BF3K
Molecular Weight
204.080000
Exact Mass
204.069947
SMILES
[B-]([C@@H]1CCCC[C@H]1C)(F)(F)F.[K+]
InChI
InChI=1S/C7H13BF3.K/c1-6-4-2-3-5-7(6)8(9,10)11;/h6-7H,2-5H2,1H3;/q-1;+1/t6-,7-;/m1./s1
InChIKey
RAVXMQPYEBSTJX-ZJLYAJKPSA-N
Synonyms
C7H13BF3K
potassium;trifluoro-[rac-(1S,2S)-2-methylcyclohexyl]boranuide
AKOS040767061
potassium;trifluoro-[(1S,2S)-2-methylcyclohexyl]boranuide
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
40.46
TPSA
0.0000
LogP / Solubility
WLOGP
0.42
MLOGP
0.37
XLogP3
0.42
Consensus LogP
0.4
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
Class (SILICOS-IT)
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)
-3.67
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
2.5
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