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CAS 113173-22-1 Bis(1,10-phenanthroline)palladium(II) Bis(hexafluorophosphate) molecular structure lightbox
CAS RN: 113173-22-1

Bis(1,10-phenanthroline)palladium(II) Bis(hexafluorophosphate)

  • Product code: SSC-013359
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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: 0.25g
  • 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 113173-22-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

113173-22-1 / palladium(2+);bis(1,10-phenanthroline);dihexafluorophosphate

Bis(1,10-phenanthroline)palladium(II) Bis(hexafluorophosphate) | RefChem:568498 | 835-319-1

Standard CAS: 113173-22-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
113173-22-1
Multi CAS
Yes
Molecular Formula
C24H16F12N4P2Pd
Molecular Weight
756.800000
Exact Mass
755.969340
SMILES
C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Pd+2]
InChI
InChI=1S/2C12H8N2.2F6P.Pd/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-7(2,3,4,5)6;/h2*1-8H;;;/q;;2*-1;+2
InChIKey
SPRLLEYDPGIKKF-UHFFFAOYSA-N
Synonyms
Bis(1,10-phenanthroline)palladium(II) Bis(hexafluorophosphate) RefChem:568498 835-319-1 MFCD31618100 palladium(2+);1,10-phenanthroline;dihexafluorophosphate

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
28
H-bond acceptors
4
Molar refractivity
141.22
TPSA
51.56

LogP / Solubility

WLOGP
12.33
MLOGP
10.92
XLogP3
12.33
Consensus LogP
11.86
Log S (ESOL)
-12.78
Class (ESOL)
Insoluble
Log S (Ali)
-14.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.81
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)
1.42

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

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]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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