![CAS 884879-23-6 PHENYLALLYLCHLORO-[1,3-BIS(DIISOPROPYLPHENYL)IMIDAZOLE-2-YLIDENE]PALLADIUM(II) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/884879-23-6.gif)
CAS RN: 884879-23-6
PHENYLALLYLCHLORO-[1,3-BIS(DIISOPROPYLPHENYL)IMIDAZOLE-2-YLIDENE]PALLADIUM(II)
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250405 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250111 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
| Batchno.20250814 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260330 | 250mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250909 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS884879-23-6
- Purity/Analytical Methods: >99.0%
884879-23-6 / PHENYLALLYLCHLORO-[1,3-BIS(DIISOPROPYLPHENYL)IMIDAZOLE-2-YLIDENE]PALLADIUM(II)
Basic Information
CAS
884879-23-6
Multi CAS
Yes
Molecular Formula
C36H45CLN2PD
Molecular Weight
647.600000
Exact Mass
646.230610
InChI
InChI=1S/C27H36N2.C9H9.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;1-2-6-9-7-4-3-5-8-9;;/h9-16,18-21H,1-8H3;2-8H,1H2;1H;/q;;;+2/p-1
InChIKey
ZSQLWNDIAPSYRQ-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
23
Fraction Csp3
0.33
Rotatable bonds
8
H-bond acceptors
1
Molar refractivity
168.39
TPSA
8.81
LogP / Solubility
WLOGP
10.16
MLOGP
8.99
XLogP3
10.16
Consensus LogP
9.77
Log S (ESOL)
-10.15
Class (ESOL)
Insoluble
Log S (Ali)
-12.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.26
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)
0.54
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
4.5
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