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CAS 22031-12-5 1,1,1-TRIS(DIPHENYLPHOSPHINOMETHYL)ETHANE molecular structure lightbox
CAS RN: 22031-12-5

1,1,1-TRIS(DIPHENYLPHOSPHINOMETHYL)ETHANE

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250327 100g In stock Shanghai Inquiry
Batchno.20260227 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250917 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260312 25g In stock Shanghai Inquiry
Batchno.20251221 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-105972
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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: 5g
  • 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 22031-12-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

22031-12-5 / [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane

Standard CAS: 22031-12-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22031-12-5
Multi CAS
No
Molecular Formula
C41H39P3
Molecular Weight
624.700000
Exact Mass
624.226462
SMILES
CC(CP(C1=CC=CC=C1)C2=CC=CC=C2)(CP(C3=CC=CC=C3)C4=CC=CC=C4)CP(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C41H39P3/c1-41(32-42(35-20-8-2-9-21-35)36-22-10-3-11-23-36,33-43(37-24-12-4-13-25-37)38-26-14-5-15-27-38)34-44(39-28-16-6-17-29-39)40-30-18-7-19-31-40/h2-31H,32-34H2,1H3
InChIKey
BARUNXKDFNLHEV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
36
Fraction Csp3
0.12
Rotatable bonds
12
Molar refractivity
199.92
TPSA
0.0000

LogP / Solubility

WLOGP
8.39
MLOGP
7.44
XLogP3
9.4
Consensus LogP
8.41
Log S (ESOL)
-8.81
Class (ESOL)
Insoluble
Log S (Ali)
-10.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.57

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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