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CAS 1365970-36-0 potassium trifluoro(1-methyl-1H-pyrazol-4-yl)boranuide molecular structure lightbox
CAS RN: 1365970-36-0

potassium trifluoro(1-methyl-1H-pyrazol-4-yl)boranuide

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250220 1g In stock Shanghai, Tianjin Inquiry
Batchno.20251028 250mg In stock Shanghai Inquiry
Batchno.20260226 5g Out of stock Inquiry
  • Product code: starshine_CAS1365970-36-0
  • Purity/Analytical Methods: >99.0%
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1365970-36-0 / potassium trifluoro-(1-methylpyrazol-4-yl)boranuide

Standard CAS: 1365970-36-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1365970-36-0
Multi CAS
No
Molecular Formula
C4H5BF3KN2
Molecular Weight
188.000000
Exact Mass
188.013494
SMILES
[B-](C1=CN(N=C1)C)(F)(F)F.[K+]
InChI
InChI=1S/C4H5BF3N2.K/c1-10-3-4(2-9-10)5(6,7)8;/h2-3H,1H3;/q-1;+1
InChIKey
OATDUWDEQHZFJZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
31.92
TPSA
17.82

LogP / Solubility

WLOGP
-2.52
MLOGP
-2.22
XLogP3
-2.52
Consensus LogP
-2.42
Log S (ESOL)
0.31
Class (ESOL)
Highly soluble
Log S (Ali)
0.72
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.09
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)
-5.66

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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