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CAS 15525-15-2 Tetraphenylphosphonium Tetraphenylborate molecular structure lightbox
CAS RN: 15525-15-2

Tetraphenylphosphonium Tetraphenylborate

  • Product code: SSC-064553
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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: 25g
  • 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 15525-15-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

15525-15-2 / tetraphenylboranuide;tetraphenylphosphanium

Standard CAS: 15525-15-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15525-15-2
Multi CAS
No
Molecular Formula
C48H40BP
Molecular Weight
658.600000
Exact Mass
658.296068
SMILES
[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H20B.C24H20P/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h2*1-20H/q-1;+1
InChIKey
QYFWPOPFFBCTLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
48
Rotatable bonds
8
H-bond acceptors
1
Molar refractivity
221.28
TPSA
0.0000

LogP / Solubility

WLOGP
7.37
MLOGP
6.54
XLogP3
7.37
Consensus LogP
7.09
Log S (ESOL)
-8.75
Class (ESOL)
Insoluble
Log S (Ali)
-10.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.02
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.5

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

Safety & Transport

Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (50%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (50%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, P391, and P501

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