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CAS 1158652-41-5 Pd-PEPPSI-IPent catalyst molecular structure lightbox
CAS RN: 1158652-41-5

Pd-PEPPSI-IPent catalyst

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10 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250821 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260321 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251122 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250306 50mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250826 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250923 100mg In stock Shanghai Inquiry
Batchno.20250606 1g In stock Shanghai Inquiry
Batchno.20260616 250mg In stock Shanghai Inquiry
Batchno.20260201 50mg In stock Shanghai Inquiry
Batchno.20250301 5g In stock Shanghai Inquiry
  • Product code: SSC-015612
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 1g, 5g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1158652-41-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry

1158652-41-5 / 1,3-bis[2,6-di(pentan-3-yl)phenyl]-2H-imidazole;3-chloropyridine;palladium(2+);dichloride

(1,3-bis(2,6-bis(pentan-3-yl)phenyl)-2,3-dihydro-1H-imidazol-2-yl)dichloro(3-chloro-1lambda5-pyridin-1-yl)palladium | {1,3-bis[2,6-bis(pentan-3-yl)phenyl]-2,3-dihydro-1H-imidazol-2-yl}dichloro(3-chloro-1lambda5-pyridin-1-yl)palladium | RefChem:391353

Standard CAS: 1158652-41-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1158652-41-5
Multi CAS
Yes
Molecular Formula
C40H58Cl3N3Pd
Molecular Weight
793.700000
Exact Mass
791.273110
SMILES
CCC(CC)C1=C(C(=CC=C1)C(CC)CC)N2CN(C=C2)C3=C(C=CC=C3C(CC)CC)C(CC)CC.C1=CC(=CN=C1)Cl.[Cl-].[Cl-].[Pd+2]
InChI
InChI=1S/C35H54N2.C5H4ClN.2ClH.Pd/c1-9-26(10-2)30-19-17-20-31(27(11-3)12-4)34(30)36-23-24-37(25-36)35-32(28(13-5)14-6)21-18-22-33(35)29(15-7)16-8;6-5-2-1-3-7-4-5;;;/h17-24,26-29H,9-16,25H2,1-8H3;1-4H;2*1H;/q;;;;+2/p-2
InChIKey
VYJIWPKHKYUFCP-UHFFFAOYSA-L
Synonyms
(1,3-bis(2,6-bis(pentan-3-yl)phenyl)-2,3-dihydro-1H-imidazol-2-yl)dichloro(3-chloro-1lambda5-pyridin-1-yl)palladium {1,3-bis[2,6-bis(pentan-3-yl)phenyl]-2,3-dihydro-1H-imidazol-2-yl}dichloro(3-chloro-1lambda5-pyridin-1-yl)palladium RefChem:391353 688-179-7 MFCD18253025

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
18
Fraction Csp3
0.53
Rotatable bonds
14
H-bond acceptors
3
Molar refractivity
194.39
TPSA
19.37

LogP / Solubility

WLOGP
6.8
MLOGP
6.05
XLogP3
6.8
Consensus LogP
6.55
Log S (ESOL)
-8.4
Class (ESOL)
Insoluble
Log S (Ali)
-10.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.14
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (95.2%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (95.2%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

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