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CAS 1279123-50-0 PotassiuM tetrahydro-2H-pyran-4-trifluoroborate molecular structure lightbox
CAS RN: 1279123-50-0

PotassiuM tetrahydro-2H-pyran-4-trifluoroborate

  • Product code: SSC-035283
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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: ＞97%
  • 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 1279123-50-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1279123-50-0 / potassium trifluoro(oxan-4-yl)boranuide

Standard CAS: 1279123-50-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1279123-50-0
Multi CAS
No
Molecular Formula
C5H9BF3KO
Molecular Weight
192.030000
Exact Mass
192.033561
SMILES
[B-](C1CCOCC1)(F)(F)F.[K+]
InChI
InChI=1S/C5H9BF3O.K/c7-6(8,9)5-1-3-10-4-2-5;/h5H,1-4H2;/q-1;+1
InChIKey
MWJFSLKQWRERJB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
32.88
TPSA
9.23

LogP / Solubility

WLOGP
-0.98
MLOGP
-0.86
XLogP3
-0.98
Consensus LogP
-0.94
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
-0.43
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.21
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.59

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501

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