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CAS 868705-03-7 PalladiuM, [1,3-bis[2,6-bis(1-Methylethyl)phenyl]-1,3-dihydro-2H-iMidazol-2-ylidene]chloro(2,4-pentanedionato-.kappa.O,.kappa.O’)-, (SP-4-2)- (9CI) molecular structure lightbox
CAS RN: 868705-03-7

PalladiuM, [1,3-bis[2,6-bis(1-Methylethyl)phenyl]-1,3-dihydro-2H-iMidazol-2-ylidene]chloro(2,4-pentanedionato-.kappa.O,.kappa.O’)-, (SP-4-2)- (9CI)

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260329 1g In stock Inquiry
Batchno.20260429 250mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250312 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-196185
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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 868705-03-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

868705-03-7 / 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;chloropalladium(1+);(Z)-4-hydroxypent-3-en-2-one

Standard CAS: 868705-03-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
868705-03-7
Multi CAS
Yes
Molecular Formula
C32H45CLN2O2PD
Molecular Weight
631.600000
Exact Mass
630.220440
InChI
InChI=1S/C27H37N2.C5H8O2.ClH.Pd/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-4(6)3-5(2)7;;/h9-21H,1-8H3;3,6H,1-2H3;1H;/q-1;;;+2/p-1/b;4-3-;;
InChIKey
NYXUTVXFJJFNHY-MECAPONASA-M

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
160.56
TPSA
43.78

LogP / Solubility

WLOGP
9.82
MLOGP
8.69
XLogP3
9.82
Consensus LogP
9.44
Log S (ESOL)
-9.72
Class (ESOL)
Insoluble
Log S (Ali)
-11.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.76
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)
0.4

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
4

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