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CAS 859-65-4 2-(Triphenylphosphoranylidene)acetophenone molecular structure lightbox
CAS RN: 859-65-4

2-(Triphenylphosphoranylidene)acetophenone

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251115 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250529 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250813 1kg Out of stock Inquiry
Batchno.20251225 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250727 500g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260525 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-194562
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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, 100g
  • 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 859-65-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

859-65-4 / 1-phenyl-2-(triphenyl-lambda5-phosphanylidene)ethanone

Standard CAS: 859-65-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
859-65-4
Multi CAS
Yes
Molecular Formula
C26H21OP
Molecular Weight
380.400000
Exact Mass
380.133002
InChI
InChI=1S/C26H21OP/c27-26(22-13-5-1-6-14-22)21-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H
InChIKey
MZRSAJZDYIISJW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
24
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
121.98
TPSA
17.07

LogP / Solubility

WLOGP
4.67
MLOGP
4.13
XLogP3
5.2
Consensus LogP
4.67
Log S (ESOL)
-5.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.61
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.73

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
3

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