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CAS 21050-13-5 Bis(triphenylphosphoranylidene)ammonium Chloride molecular structure lightbox
CAS RN: 21050-13-5

Bis(triphenylphosphoranylidene)ammonium Chloride

Product Availability

Choose a grade to view its available package options.

10 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251230 100g In stock Inquiry
Batchno.20250325 25g In stock Inquiry
Batchno.20250627 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260217 100g Out of stock Inquiry
Batchno.20250720 25g Out of stock Inquiry
Batchno.20260228 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250307 100g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20251012 25g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20251014 500g In stock Shanghai Inquiry
Batchno.20260212 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-100246
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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: 25g
  • 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 21050-13-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

21050-13-5 / triphenyl-[(triphenyl-lambda5-phosphanylidene)amino]phosphanium chloride

Standard CAS: 21050-13-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
21050-13-5
Multi CAS
No
Molecular Formula
C36H30ClNP2
Molecular Weight
574.000000
Exact Mass
573.154202
SMILES
C1=CC=C(C=C1)P(=N[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-]
InChI
InChI=1S/C36H30NP2.ClH/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;/h1-30H;1H/q+1;/p-1
InChIKey
LVRCYPYRKNAAMX-UHFFFAOYSA-M

Physical Properties

Physical Description
White powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
36
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
172.72
TPSA
12.36

LogP / Solubility

WLOGP
4.08
MLOGP
3.63
XLogP3
4.08
Consensus LogP
3.93
Log S (ESOL)
-6.17
Class (ESOL)
Insoluble
Log S (Ali)
-7.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.62
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.33

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
5.5

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