![CAS 444910-17-2 DICHLORO(DI-Μ-CHLORO)BIS[1,3-BIS(2,6-DI-I-PROPYLPHENYL)IMIDAZOL-2-YLIDENE]DIPALLADIUM (II) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/444910-17-2.gif)
CAS RN: 444910-17-2
DICHLORO(DI-Μ-CHLORO)BIS[1,3-BIS(2,6-DI-I-PROPYLPHENYL)IMIDAZOL-2-YLIDENE]DIPALLADIUM (II)
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-152518
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
444910-17-2 / bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);bis(dichloropalladium)
Basic Information
CAS
444910-17-2
Multi CAS
Yes
Molecular Formula
C54H72CL4N4PD2
Molecular Weight
1131.800000
Exact Mass
1132.255530
InChI
InChI=1S/2C27H36N2.4ClH.2Pd/c2*1-18(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;;;;;;/h2*9-16,18-21H,1-8H3;4*1H;;/q;;;;;;2*+2/p-4
InChIKey
TXCXGICCIUAGJY-UHFFFAOYSA-J
Computed Properties
Structural Parameters
Heavy atom count
64
Aromatic heavy atom count
34
Fraction Csp3
0.44
Rotatable bonds
12
H-bond acceptors
2
Molar refractivity
268.4
TPSA
17.62
LogP / Solubility
WLOGP
16.85
MLOGP
14.94
XLogP3
16.85
Consensus LogP
16.21
Log S (ESOL)
-17.07
Class (ESOL)
Insoluble
Log S (Ali)
-21.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-22.44
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)
2.34
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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