CAS RN: 1364936-24-2
Potassium (1-Boc-4-piperidinyloxy)methyltrifluoroborate
- Product code: SSC-045509
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: 1g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
1364936-24-2 / potassium trifluoro-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]boranuide
Basic Information
CAS
1364936-24-2
Multi CAS
No
Molecular Formula
C11H20BF3KNO3
Molecular Weight
321.190000
Exact Mass
321.112540
SMILES
[B-](COC1CCN(CC1)C(=O)OC(C)(C)C)(F)(F)F.[K+]
InChI
InChI=1S/C11H20BF3NO3.K/c1-11(2,3)19-10(17)16-6-4-9(5-7-16)18-8-12(13,14)15;/h9H,4-8H2,1-3H3;/q-1;+1
InChIKey
ACRQMPLRTDEQAH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.91
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
65.86
TPSA
38.77
LogP / Solubility
WLOGP
-0.21
MLOGP
-0.17
XLogP3
-0.21
Consensus LogP
-0.2
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.94
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)
-4.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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