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CAS 1111732-81-0 Potassium 1H-pyrazole-4-trifluoroborate molecular structure lightbox
CAS RN: 1111732-81-0

Potassium 1H-pyrazole-4-trifluoroborate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250906 5g In stock Shanghai Inquiry
  • Product code: SSC-012038
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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: 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1111732-81-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

1111732-81-0 / potassium trifluoro(1H-pyrazol-4-yl)boranuide

POTASSIUM 1H-PYRAZOLE-4-TRIFLUOROBORATE | Potassium trifluoro(1H-pyrazol-4-yl)borate | potassium;trifluoro(1H-pyrazol-4-yl)boranuide

Standard CAS: 1111732-81-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1111732-81-0
Multi CAS
Yes
Molecular Formula
C3H3BF3KN2
Molecular Weight
173.980000
Exact Mass
173.997844
SMILES
[B-](C1=CNN=C1)(F)(F)F.[K+]
InChI
InChI=1S/C3H3BF3N2.K/c5-4(6,7)3-1-8-9-2-3;/h1-2H,(H,8,9);/q-1;+1
InChIKey
IKWKPYJRTNMJDL-UHFFFAOYSA-N
Synonyms
POTASSIUM 1H-PYRAZOLE-4-TRIFLUOROBORATE Potassium trifluoro(1H-pyrazol-4-yl)borate potassium;trifluoro(1H-pyrazol-4-yl)boranuide MFCD09992891 POTASSIUM TRIFLUORO(1H-PYRAZOL-4-YL)BORANUIDE

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

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