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CAS 172418-32-5 TRANS-DI(MU-ACETATO)BIS[O-(DI-O-TOLYLPHOSPHINO)BENZYL]DIPALLADIUM (II) molecular structure lightbox
CAS RN: 172418-32-5

TRANS-DI(MU-ACETATO)BIS[O-(DI-O-TOLYLPHOSPHINO)BENZYL]DIPALLADIUM (II)

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260621 100mg In stock Shanghai Inquiry
Batchno.20250801 10g Out of stock Inquiry
Batchno.20250121 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260213 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250716 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-075803
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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 172418-32-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

172418-32-5 / acetic acid;bis((2-methanidylphenyl)-bis(2-methylphenyl)phosphane);bis(palladium)

Standard CAS: 172418-32-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
172418-32-5
Multi CAS
No
Molecular Formula
C46H48O4P2Pd2-2
Molecular Weight
939.700000
Exact Mass
940.110160
SMILES
CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3[CH2-].CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3[CH2-].CC(=O)O.CC(=O)O.[Pd].[Pd]
InChI
InChI=1S/2C21H20P.2C2H4O2.2Pd/c2*1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;2*1-2(3)4;;/h2*4-15H,1H2,2-3H3;2*1H3,(H,3,4);;/q2*-1;;;;
InChIKey
VWGJFGJEXBXEDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
36
Fraction Csp3
0.13
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
224.78
TPSA
74.6

LogP / Solubility

WLOGP
8.66
MLOGP
7.71
XLogP3
8.66
Consensus LogP
8.34
Log S (ESOL)
-11.22
Class (ESOL)
Insoluble
Log S (Ali)
-13.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.68
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)
-2.3

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] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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