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CAS 253157-79-8 [(R)-(+)-2,2′-BIS(DIPHENYLPHOSPHINO)-1,1′-BINAPHTHYL]PALLADIUM(II) CHLORIDE molecular structure lightbox
CAS RN: 253157-79-8

[(R)-(+)-2,2′-BIS(DIPHENYLPHOSPHINO)-1,1′-BINAPHTHYL]PALLADIUM(II) CHLORIDE

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260606 100mg In stock Inquiry
Batchno.20260406 1g In stock Inquiry
Batchno.20251013 500mg In stock Inquiry
Batchno.20260511 5g Out of stock Inquiry
  • Product code: SSC-121183
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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: 1g
  • 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 253157-79-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

253157-79-8 / dichloropalladium;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane

Standard CAS: 253157-79-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
253157-79-8
Multi CAS
No
Molecular Formula
C44H32Cl2P2Pd
Molecular Weight
800.000000
Exact Mass
798.039110
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl[Pd]Cl
InChI
InChI=1S/C44H32P2.2ClH.Pd/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;;;/h1-32H;2*1H;/q;;;+2/p-2
InChIKey
VDHAUMFISVWIRX-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
49
Aromatic heavy atom count
44
Rotatable bonds
7
Molar refractivity
216.01
TPSA
0.0000

LogP / Solubility

WLOGP
10.55
MLOGP
9.36
XLogP3
10.55
Consensus LogP
10.15
Log S (ESOL)
-11.65
Class (ESOL)
Insoluble
Log S (Ali)
-13.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.46
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)
-0.11

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
6.5

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