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CAS 850623-46-0 Potassium (3-Cyanophenyl)trifluoroborate molecular structure lightbox
CAS RN: 850623-46-0

Potassium (3-Cyanophenyl)trifluoroborate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250914 10g In stock Shenzhen, Tianjin Inquiry
Batchno.20251012 1g In stock Shanghai Inquiry
Batchno.20260412 25g In stock Shenzhen, Tianjin Inquiry
Batchno.20260616 5g In stock Shanghai Inquiry
  • Product code: SSC-193058
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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: 10g
  • 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 850623-46-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

850623-46-0 / potassium (3-cyanophenyl)-trifluoroboranuide

Standard CAS: 850623-46-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
850623-46-0
Multi CAS
No
Molecular Formula
BC7F3H4KN
Molecular Weight
209.020000
Exact Mass
209.002595
InChI
InChI=1S/C7H4BF3N.K/c9-8(10,11)7-3-1-2-6(4-7)5-12;/h1-4H;/q-1;+1
InChIKey
STQLGUGARUCKLI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
39.87
TPSA
23.79

LogP / Solubility

WLOGP
-1.38
MLOGP
-1.22
XLogP3
-1.38
Consensus LogP
-1.33
Log S (ESOL)
-0.54
Class (ESOL)
Very soluble
Log S (Ali)
-0.28
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.01
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)
-4.98

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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