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CAS 1051923-94-4 DICHLOROBIS(CHLORODICYCLOHEXYLPHOSPHINE) PALLADIUM (II) molecular structure lightbox
CAS RN: 1051923-94-4

DICHLOROBIS(CHLORODICYCLOHEXYLPHOSPHINE) PALLADIUM (II)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260106 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1051923-94-4
  • Purity/Analytical Methods: >99.0%
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1051923-94-4 / bis(chloro(dicyclohexyl)phosphane);dichloropalladium

palladium (II) | Dichlorobis(chlorodicyclohexylphosphine) | SCHEMBL2059397

Standard CAS: 1051923-94-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1051923-94-4
Multi CAS
No
Molecular Formula
C24H44Cl4P2Pd
Molecular Weight
642.800000
Exact Mass
642.067770
SMILES
C1CCC(CC1)P(C2CCCCC2)Cl.C1CCC(CC1)P(C2CCCCC2)Cl.Cl[Pd]Cl
InChI
InChI=1S/2C12H22ClP.2ClH.Pd/c2*13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;;;/h2*11-12H,1-10H2;2*1H;/q;;;;+2/p-2
InChIKey
NEHOAVNRSNZPMJ-UHFFFAOYSA-L
Synonyms
palladium (II) Dichlorobis(chlorodicyclohexylphosphine) SCHEMBL2059397 CS-47957 dichlorobis(chlorodicyclohexylphosphine)palladium(ii)

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
1
Rotatable bonds
4
Molar refractivity
144.74
TPSA
0.0000

LogP / Solubility

WLOGP
11.95
MLOGP
10.57
XLogP3
11.95
Consensus LogP
11.49
Log S (ESOL)
-11.09
Class (ESOL)
Insoluble
Log S (Ali)
-13.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.24
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.84

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
3

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