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CAS 85719-56-8 [(2-Dimethylamino)propyldiphenylphosphine]palladium(II) Dichloride molecular structure lightbox
CAS RN: 85719-56-8

[(2-Dimethylamino)propyldiphenylphosphine]palladium(II) Dichloride

  • Product code: SSC-194276
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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 85719-56-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

85719-56-8 / dichloropalladium;1-diphenylphosphanyl-N,N-dimethylpropan-2-amine

Standard CAS: 85719-56-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
85719-56-8
Multi CAS
Yes
Molecular Formula
C17H22CL2NPPD
Molecular Weight
448.700000
Exact Mass
446.990170
InChI
InChI=1S/C17H22NP.2ClH.Pd/c1-15(18(2)3)14-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17;;;/h4-13,15H,14H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKey
FNNZHLBSYLLCRW-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
98.79
TPSA
3.24

LogP / Solubility

WLOGP
4.45
MLOGP
3.94
XLogP3
4.45
Consensus LogP
4.28
Log S (ESOL)
-5.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.87
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.3

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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