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CAS 25791-20-2 Triphenyl(tetradecyl)phosphonium Bromide molecular structure lightbox
CAS RN: 25791-20-2

Triphenyl(tetradecyl)phosphonium Bromide

  • Product code: SSC-122322
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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: 100g
  • 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 25791-20-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Hong Kong Inquiry

25791-20-2 / triphenyl(tetradecyl)phosphanium bromide

Standard CAS: 25791-20-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25791-20-2
Multi CAS
No
Molecular Formula
C32H44BRP
Molecular Weight
539.600000
Exact Mass
538.236400
InChI
InChI=1S/C32H44P.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-33(30-23-16-13-17-24-30,31-25-18-14-19-26-31)32-27-20-15-21-28-32;/h13-21,23-28H,2-12,22,29H2,1H3;1H/q+1;/p-1
InChIKey
FUMBGFNGBMYHGH-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.44
Rotatable bonds
16
H-bond acceptors
1
Molar refractivity
151.09
TPSA
0.0000

LogP / Solubility

WLOGP
5.69
MLOGP
5.04
XLogP3
5.69
Consensus LogP
5.47
Log S (ESOL)
-6.1
Class (ESOL)
Insoluble
Log S (Ali)
-8.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.81
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)
-1.97

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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