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CAS 1620108-43-1 Potassium (4-chloro-2-methylphenyl)trifluoroborate molecular structure lightbox
CAS RN: 1620108-43-1

Potassium (4-chloro-2-methylphenyl)trifluoroborate

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260420 1g In stock Shenzhen, Tianjin Inquiry
Batchno.20250701 250mg In stock Shenzhen, Tianjin Inquiry
Batchno.20260625 5g In stock Shenzhen, Tianjin Inquiry
  • Product code: starshine_CAS1620108-43-1
  • Purity/Analytical Methods: >99.0%
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1620108-43-1 / potassium (4-chloro-2-methylphenyl)-trifluoroboranuide

Standard CAS: 1620108-43-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1620108-43-1
Multi CAS
No
Molecular Formula
C7H6BClF3K
Molecular Weight
232.480000
Exact Mass
231.984024
SMILES
[B-](C1=C(C=C(C=C1)Cl)C)(F)(F)F.[K+]
InChI
InChI=1S/C7H6BClF3.K/c1-5-4-6(9)2-3-7(5)8(10,11)12;/h2-4H,1H3;/q-1;+1
InChIKey
UKZYEYUURQCBSI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
44.9
TPSA
0.0000

LogP / Solubility

WLOGP
-0.29
MLOGP
-0.25
XLogP3
-0.29
Consensus LogP
-0.28
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.05
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.35

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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