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CAS 51044-13-4 (4-Bromobenzyl)triphenylphosphonium Bromide molecular structure lightbox
CAS RN: 51044-13-4

(4-Bromobenzyl)triphenylphosphonium Bromide

Product Availability

Choose a grade to view its available package options.

13 package records12 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250328 100g In stock Inquiry
Batchno.20251107 25g In stock Inquiry
Batchno.20250516 500g Out of stock Inquiry
Batchno.20250914 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250629 100g In stock Shanghai, Shenzhen Inquiry
Batchno.20251204 10g In stock Shanghai Inquiry
Batchno.20250314 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250510 500g In stock Shanghai Inquiry
Batchno.20250507 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260130 100g In stock Shanghai, Chongqing Inquiry
Batchno.20250313 25g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20251012 500g In stock Shanghai Inquiry
Batchno.20251102 5g In stock Shanghai, Guangdong Inquiry
  • Product code: SSC-157817
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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 51044-13-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

51044-13-4 / (4-bromophenyl)methyl-triphenylphosphanium bromide

Standard CAS: 51044-13-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51044-13-4
Multi CAS
Yes
Molecular Formula
C25H21BR2P
Molecular Weight
512.200000
Exact Mass
511.972710
InChI
InChI=1S/C25H21BrP.BrH/c26-22-18-16-21(17-19-22)20-27(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1
InChIKey
FQJYKXVQABPCRA-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
122.99
TPSA
0.0000

LogP / Solubility

WLOGP
2.95
MLOGP
2.63
XLogP3
2.95
Consensus LogP
2.84
Log S (ESOL)
-5.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
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)
-3.75

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
3

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