CAS RN: 1013640-87-3
POTASSIUM 1H-PYRAZOLE-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.20251117 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1013640-87-3
- Purity/Analytical Methods: >99.0%
1013640-87-3 / potassium trifluoro(1H-pyrazol-5-yl)boranuide
DTXSID10649121 | Potassium trifluoro(1H-pyrazol-5-yl)borate(1-) | RefChem:373747
Basic Information
CAS
1013640-87-3
Multi CAS
No
Molecular Formula
C3H3BF3KN2
Molecular Weight
173.980000
Exact Mass
173.997844
SMILES
[B-](C1=CC=NN1)(F)(F)F.[K+]
InChI
InChI=1S/C3H3BF3N2.K/c5-4(6,7)3-1-2-8-9-3;/h1-2H,(H,8,9);/q-1;+1
InChIKey
QNHYBMZHGRWURK-UHFFFAOYSA-N
Synonyms
DTXSID10649121
Potassium trifluoro(1H-pyrazol-5-yl)borate(1-)
RefChem:373747
DTXCID30599871
POTASSIUM 1H-PYRAZOLE-5-TRIFLUOROBORATE
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
27.3
TPSA
28.68
LogP / Solubility
WLOGP
-2.53
MLOGP
-2.23
XLogP3
-2.53
Consensus LogP
-2.43
Log S (ESOL)
0.37
Class (ESOL)
Highly soluble
Log S (Ali)
0.84
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.19
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)
-5.58
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]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501
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