CAS RN: 1245906-70-0
Potassium (2-chloropyrimidin-5-yl)trifluoroborate
- Product code: SSC-028572
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1245906-70-0 / potassium (2-chloropyrimidin-5-yl)-trifluoroboranuide
Basic Information
CAS
1245906-70-0
Multi CAS
No
Molecular Formula
C4H2BClF3KN2
Molecular Weight
220.430000
Exact Mass
219.958872
SMILES
[B-](C1=CN=C(N=C1)Cl)(F)(F)F.[K+]
InChI
InChI=1S/C4H2BClF3N2.K/c6-4-10-1-3(2-11-4)5(7,8)9;/h1-2H;/q-1;+1
InChIKey
JAUMZIPHWMCSIJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
35.75
TPSA
25.78
LogP / Solubility
WLOGP
-1.81
MLOGP
-1.59
XLogP3
-1.81
Consensus LogP
-1.74
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
-0.06
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.29
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)
-5.35
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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