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CAS 1201899-21-9 potassium propa-1,2-dienyltrifluoroborate molecular structure lightbox
CAS RN: 1201899-21-9

potassium propa-1,2-dienyltrifluoroborate

  • Product code: SSC-021001
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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: 1g
  • 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 1201899-21-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1201899-21-9 / potassium trifluoro(propa-1,2-dienyl)boranuide

Potassium propa-1,2-dienyltrifluoroborate | potassium trifluoro(propa-1,2-dien-1-yl)borate | DTXSID50655185

Standard CAS: 1201899-21-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1201899-21-9
Multi CAS
Yes
Molecular Formula
C3H3BF3K
Molecular Weight
145.960000
Exact Mass
145.991696
SMILES
[B-](C=C=C)(F)(F)F.[K+]
InChI
InChI=1S/C3H3BF3.K/c1-2-3-4(5,6)7;/h3H,1H2;/q-1;+1
InChIKey
ZNAQRYYEMVXCEP-UHFFFAOYSA-N
Synonyms
Potassium propa-1,2-dienyltrifluoroborate potassium trifluoro(propa-1,2-dien-1-yl)borate DTXSID50655185 MFCD11052666 ZB0258

Computed Properties

Structural Parameters

Heavy atom count
8
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
22.79
TPSA
0.0000

LogP / Solubility

WLOGP
-1.28
MLOGP
-1.13
XLogP3
-1.28
Consensus LogP
-1.23
Log S (ESOL)
0.13
Class (ESOL)
Highly soluble
Log S (Ali)
0.17
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.34
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)
-4.52

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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