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CAS 1427323-42-9 Potassium (4-acetamidophenyl)trifluoroboranuide molecular structure lightbox
CAS RN: 1427323-42-9

Potassium (4-acetamidophenyl)trifluoroboranuide

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250924 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1427323-42-9
  • Purity/Analytical Methods: >99.0%
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1427323-42-9 / potassium (4-acetamidophenyl)-trifluoroboranuide

Standard CAS: 1427323-42-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1427323-42-9
Multi CAS
No
Molecular Formula
C8H8BF3KNO
Molecular Weight
241.060000
Exact Mass
241.028810
SMILES
[B-](C1=CC=C(C=C1)NC(=O)C)(F)(F)F.[K+]
InChI
InChI=1S/C8H8BF3NO.K/c1-6(14)13-8-4-2-7(3-5-8)9(10,11)12;/h2-5H,1H3,(H,13,14);/q-1;+1
InChIKey
XICGZZIOZHTOEE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.46
TPSA
29.1

LogP / Solubility

WLOGP
-1.3
MLOGP
-1.14
XLogP3
-1.3
Consensus LogP
-1.25
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-0.6
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.39
Class (SILICOS-IT)
Very 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)
-5.11

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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