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CAS 149213-65-0 Sodiumtetrakis(pentafluorophenyl)borate molecular structure lightbox
CAS RN: 149213-65-0

Sodiumtetrakis(pentafluorophenyl)borate

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260410 100mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250115 10g In stock Shanghai Inquiry
Batchno.20250817 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250328 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20251215 5g In stock Shanghai, Tianjin Inquiry
  • Product code: starshine_CAS149213-65-0
  • Purity/Analytical Methods: >99.0%
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149213-65-0 / sodium tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

Standard CAS: 149213-65-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
149213-65-0
Multi CAS
No
Molecular Formula
C24BF20Na
Molecular Weight
702.000000
Exact Mass
701.967138
SMILES
[B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.[Na+]
InChI
InChI=1S/C24BF20.Na/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
NXSPYLCTDFECPN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
24
Rotatable bonds
4
H-bond acceptors
21
Molar refractivity
109.22
TPSA
0.0000

LogP / Solubility

WLOGP
2.85
MLOGP
2.57
XLogP3
2.85
Consensus LogP
2.76
Log S (ESOL)
-6.11
Class (ESOL)
Insoluble
Log S (Ali)
-7.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.07
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.98

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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] H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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