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CAS 54314-85-1 (3-BENZYLOXYPROPYL)TRIPHENYLPHOSPHONIUM BROMIDE molecular structure lightbox
CAS RN: 54314-85-1

(3-BENZYLOXYPROPYL)TRIPHENYLPHOSPHONIUM BROMIDE

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251015 1g In stock Inquiry
Batchno.20250817 250mg In stock Inquiry
Batchno.20250904 250mg / 1g / 5g / 10g / 25g Confirm by inquiry Shanghai, Shandong, Hebei 5-7 business days Inquiry
Batchno.20260501 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250502 10g In stock Shanghai Inquiry
Batchno.20250423 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260128 25g In stock Shanghai, Tianjin Inquiry
Batchno.20260412 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-161945
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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: 0.25g, 1g, 5g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 54314-85-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 5 In Stock Shenzhen 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% 3 In Stock Hong Kong Inquiry

54314-85-1 / triphenyl(3-phenylmethoxypropyl)phosphanium bromide

Standard CAS: 54314-85-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54314-85-1
Multi CAS
Yes
Molecular Formula
C28H28BROP
Molecular Weight
491.400000
Exact Mass
490.106120
InChI
InChI=1S/C28H28OP.BrH/c1-5-14-25(15-6-1)24-29-22-13-23-30(26-16-7-2-8-17-26,27-18-9-3-10-19-27)28-20-11-4-12-21-28;/h1-12,14-21H,13,22-24H2;1H/q+1;/p-1
InChIKey
DWYCJWXMZGVGJV-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
24
Fraction Csp3
0.14
Rotatable bonds
9
H-bond acceptors
1
Molar refractivity
130.73
TPSA
9.23

LogP / Solubility

WLOGP
2.59
MLOGP
2.32
XLogP3
2.59
Consensus LogP
2.5
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.09
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.88

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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