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CAS 1111732-84-3 Potassium 3,5-dimethylisoxazole-4-yltrifluoroborate molecular structure lightbox
CAS RN: 1111732-84-3

Potassium 3,5-dimethylisoxazole-4-yltrifluoroborate

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251113 1g Out of stock Inquiry
Batchno.20260515 25g Out of stock Inquiry
Batchno.20260410 5g In stock Tianjin Inquiry
  • Product code: starshine_CAS1111732-84-3
  • Purity/Analytical Methods: >99.0%
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1111732-84-3 / potassium (3,5-dimethyl-1,2-oxazol-4-yl)-trifluoroboranuide

POTASSIUM 3,5-DIMETHYLISOXAZOLE-4-YLTRIFLUOROBORATE | Potassium (3,5-dimethylisoxazol-4-yl)trifluoroborate | MFCD09993005

Standard CAS: 1111732-84-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1111732-84-3
Multi CAS
No
Molecular Formula
C5H6BF3KNO
Molecular Weight
203.010000
Exact Mass
203.013160
SMILES
[B-](C1=C(ON=C1C)C)(F)(F)F.[K+]
InChI
InChI=1S/C5H6BF3NO.K/c1-3-5(6(7,8)9)4(2)11-10-3;/h1-2H3;/q-1;+1
InChIKey
RPKZLOBOOBEILR-UHFFFAOYSA-N
Synonyms
POTASSIUM 3,5-DIMETHYLISOXAZOLE-4-YLTRIFLUOROBORATE Potassium (3,5-dimethylisoxazol-4-yl)trifluoroborate MFCD09993005 potassium;(3,5-dimethyl-1,2-oxazol-4-yl)-trifluoroboranuide POTASSIUM (3,5-DIMETHYL-1,2-OXAZOL-4-YL)TRIFLUOROBORANUIDE

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
34.69
TPSA
26.03

LogP / Solubility

WLOGP
-1.65
MLOGP
-1.45
XLogP3
-1.65
Consensus LogP
-1.58
Log S (ESOL)
-0.3
Class (ESOL)
Very soluble
Log S (Ali)
-0.03
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.27
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)
-5.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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