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CAS 51114-94-4 (2-Carboxyethyl)triphenylphosphonium Bromide molecular structure lightbox
CAS RN: 51114-94-4

(2-Carboxyethyl)triphenylphosphonium Bromide

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260226 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250416 10g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251227 1kg In stock Shanghai Inquiry
Batchno.20250529 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260120 500g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250506 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-157904
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 500g, 1000g
  • Available purity: >97%
  • Inventory rows with stock: 7
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 51114-94-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g >97% 5 In Stock Beijing Inquiry
10g >97% 5 In Stock Hong Kong Inquiry
25g >97% 5 In Stock Shanghai Inquiry
100g >97% 5 In Stock Shenzhen Inquiry
500g >97% 5 In Stock Hong Kong Inquiry
1000g >97% 5 In Stock Shenzhen Inquiry

51114-94-4 / 2-carboxyethyl(triphenyl)phosphanium bromide

Standard CAS: 51114-94-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51114-94-4
Multi CAS
Yes
Molecular Formula
C21H20BRO2P
Molecular Weight
415.300000
Exact Mass
414.038430
InChI
InChI=1S/C21H19O2P.BrH/c22-21(23)16-17-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17H2;1H
InChIKey
BVKRDNIULHRLCO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
102.27
TPSA
37.3

LogP / Solubility

WLOGP
0.46
MLOGP
0.43
XLogP3
0.46
Consensus LogP
0.45
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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