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CAS 2797-28-6 LITHIUM TETRAKIS(PENTAFLUOROPHENYL)BORATE-ETHYL ETHER COMPLEX molecular structure lightbox
CAS RN: 2797-28-6

LITHIUM TETRAKIS(PENTAFLUOROPHENYL)BORATE-ETHYL ETHER COMPLEX

  • Product code: SSC-128500
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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 2797-28-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2797-28-6 / lithium;ethoxyethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

Standard CAS: 2797-28-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2797-28-6
Multi CAS
Yes
Molecular Formula
C28H10BF20LiO
Molecular Weight
760.100000
Exact Mass
760.066537
InChI
InChI=1S/C24BF20.Li/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;/q-1;+1
InChIKey
WTTFKRRTEAPVBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
51
Aromatic heavy atom count
24
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
131.39
TPSA
9.23

LogP / Solubility

WLOGP
3.89
MLOGP
3.49
XLogP3
3.89
Consensus LogP
3.76
Log S (ESOL)
-6.96
Class (ESOL)
Insoluble
Log S (Ali)
-8.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.55
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
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
4.5

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