CAS RN: 1242733-91-0
Potassium pyrimidine-5-trifluoroborate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260616 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1242733-91-0
- Purity/Analytical Methods: >99.0%
1242733-91-0 / potassium trifluoro(pyrimidin-5-yl)boranuide
Basic Information
CAS
1242733-91-0
Multi CAS
No
Molecular Formula
C4H3BF3KN2
Molecular Weight
185.990000
Exact Mass
185.997844
SMILES
[B-](C1=CN=CN=C1)(F)(F)F.[K+]
InChI
InChI=1S/C4H3BF3N2.K/c6-5(7,8)4-1-9-3-10-2-4;/h1-3H;/q-1;+1
InChIKey
FLVBHQQPIJARSC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
30.74
TPSA
25.78
LogP / Solubility
WLOGP
-2.46
MLOGP
-2.17
XLogP3
-2.46
Consensus LogP
-2.36
Log S (ESOL)
0.22
Class (ESOL)
Highly soluble
Log S (Ali)
0.69
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.06
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)
-5.6
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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