![CAS 478980-04-0 ALLYLCHLORO[1,3-BIS(2,4,6-TRIMETHYLPHENYL)IMIDAZOL-2-YLIDENE]PALLADIUM(II), 98 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/478980-04-0.gif)
CAS RN: 478980-04-0
ALLYLCHLORO[1,3-BIS(2,4,6-TRIMETHYLPHENYL)IMIDAZOL-2-YLIDENE]PALLADIUM(II), 98
Product Availability
Choose a grade to view its available package options.
10 package records7 with current stock5 grade groups
- Product code: SSC-154857
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 | Hong Kong | Inquiry |
478980-04-0 / [1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]palladium;prop-1-ene;chloride
Basic Information
CAS
478980-04-0
Multi CAS
Yes
Molecular Formula
C24H29CLN2PD-2
Molecular Weight
487.400000
Exact Mass
486.105410
InChI
InChI=1S/C21H25N2.C3H6.ClH.Pd/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-3-2;;/h7-13H,1-6H3;3H,1H2,2H3;1H;/q-1;;;+2/p-1
InChIKey
FVAVKYGEMJJYEL-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
17
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
112.32
TPSA
9.86
LogP / Solubility
WLOGP
3.21
MLOGP
2.86
XLogP3
3.21
Consensus LogP
3.09
Log S (ESOL)
-5.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.73
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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