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CAS 51860-45-8 (3-HYDROXYPROPYL)TRIPHENYLPHOSPHONIUM BROMIDE molecular structure lightbox
CAS RN: 51860-45-8

(3-HYDROXYPROPYL)TRIPHENYLPHOSPHONIUM BROMIDE

  • Product code: SSC-158881
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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: 0.05g, 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >95%
  • 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 51860-45-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 5 In Stock Shenzhen Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Shanghai Inquiry
10g >95% 5 In Stock Hong Kong Inquiry

51860-45-8 / 3-hydroxypropyl(triphenyl)phosphanium bromide

Standard CAS: 51860-45-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51860-45-8
Multi CAS
No
Molecular Formula
C21H22BROP
Molecular Weight
401.300000
Exact Mass
400.059160
InChI
InChI=1S/C21H22OP.BrH/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16,22H,10,17-18H2;1H/q+1;/p-1
InChIKey
AHYDCPUKEAXCKZ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
101.72
TPSA
20.23

LogP / Solubility

WLOGP
0.37
MLOGP
0.35
XLogP3
0.37
Consensus LogP
0.36
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
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)
-4.91

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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