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CAS 1408168-76-2 Potassium trifluoro(2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)borate molecular structure lightbox
CAS RN: 1408168-76-2

Potassium trifluoro(2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)borate

  • Product code: SSC-051384
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 25g, 100g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1408168-76-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Shanghai Inquiry
25g >95% 5 In Stock Hong Kong Inquiry
100g >95% 3 In Stock Shenzhen Inquiry
10g >95% 2 In Stock Shanghai Inquiry

1408168-76-2 / potassium trifluoro-[2-(oxan-2-yloxy)ethyl]boranuide

Standard CAS: 1408168-76-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1408168-76-2
Multi CAS
No
Molecular Formula
C7H13BF3KO2
Molecular Weight
236.080000
Exact Mass
236.059776
SMILES
[B-](CCOC1CCCCO1)(F)(F)F.[K+]
InChI
InChI=1S/C7H13BF3O2.K/c9-8(10,11)4-6-13-7-3-1-2-5-12-7;/h7H,1-6H2;/q-1;+1
InChIKey
TWXMFURGWHZION-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
43.43
TPSA
18.46

LogP / Solubility

WLOGP
-0.62
MLOGP
-0.54
XLogP3
-0.62
Consensus LogP
-0.59
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
Class (SILICOS-IT)
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)
-4.6

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
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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