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CAS 1519-46-6 O-XYLYLENEBIS(TRIPHENYLPHOSPHONIUM BROMIDE) molecular structure lightbox
CAS RN: 1519-46-6

O-XYLYLENEBIS(TRIPHENYLPHOSPHONIUM BROMIDE)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250804 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-061702
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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
  • Available purity: >98%
  • Inventory rows with stock: 5
  • 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 1519-46-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 2 In Stock Hong Kong Inquiry
5g >98% 2 In Stock Beijing Inquiry
10g >98% 2 In Stock Shanghai Inquiry
25g >98% 2 In Stock Hong Kong Inquiry
100g >98% 2 In Stock Hong Kong Inquiry

1519-46-6 / triphenyl-[[2-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dibromide

Standard CAS: 1519-46-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1519-46-6
Multi CAS
No
Molecular Formula
C44H38Br2P2
Molecular Weight
788.500000
Exact Mass
788.079500
SMILES
C1=CC=C(C=C1)[P+](CC2=CC=CC=C2C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-].[Br-]
InChI
InChI=1S/C44H38P2.2BrH/c1-7-23-39(24-8-1)45(40-25-9-2-10-26-40,41-27-11-3-12-28-41)35-37-21-19-20-22-38(37)36-46(42-29-13-4-14-30-42,43-31-15-5-16-32-43)44-33-17-6-18-34-44;;/h1-34H,35-36H2;2*1H/q+2;;/p-2
InChIKey
MXCBXCYGWQAOSN-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
48
Aromatic heavy atom count
42
Fraction Csp3
0.05
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
204.15
TPSA
0.0000

LogP / Solubility

WLOGP
2.68
MLOGP
2.43
XLogP3
2.68
Consensus LogP
2.6
Log S (ESOL)
-6.41
Class (ESOL)
Insoluble
Log S (Ali)
-7.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.21
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)
-5.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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