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CAS 82308-17-6 BIS(TRIPHENYLPHOSPHINE)NICKEL(II) IODIDE molecular structure lightbox
CAS RN: 82308-17-6

BIS(TRIPHENYLPHOSPHINE)NICKEL(II) IODIDE

  • Product code: SSC-190488
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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: 10g
  • Available purity: ≥95%
  • 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 82308-17-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

82308-17-6 / diiodonickel;bis(triphenylphosphane)

Standard CAS: 82308-17-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82308-17-6
Multi CAS
Yes
Molecular Formula
C36H30I3NP2
Molecular Weight
837.100000
Exact Mass
835.926560
InChI
InChI=1S/2C18H15P.2HI.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+2/p-2
InChIKey
AKXNPPNNEDIAJL-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
36
Rotatable bonds
6
Molar refractivity
198.34
TPSA
0.0000

LogP / Solubility

WLOGP
8.66
MLOGP
7.7
XLogP3
8.66
Consensus LogP
8.34
Log S (ESOL)
-10.74
Class (ESOL)
Insoluble
Log S (Ali)
-12.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.01
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)
-1.68

Drug-likeness / Medicinal Chemistry

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

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