![CAS 1034901-50-2 [4,4′-Bis(1,1-dimethylethyl)-2,2′-bipyridine] nickel (II) dichloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1034901-50-2.gif)
CAS RN: 1034901-50-2
[4,4′-Bis(1,1-dimethylethyl)-2,2′-bipyridine] nickel (II) dichloride
- Product code: SSC-005043
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: 0.25g, 1g, 25g, 5g, 0.1g, 10g, 100g
- Available purity: >97%
- Inventory rows with stock: 7
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 1g | >97% | 5 In Stock | Beijing | Inquiry |
| 25g | >97% | 5 In Stock | Beijing | Inquiry |
| 5g | >97% | 4 In Stock | Hong Kong | Inquiry |
| 0.1g | >97% | 3 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 100g | >97% | 1 In Stock | Beijing | Inquiry |
1034901-50-2 / 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;dichloronickel
MFCD31807325 | SCHEMBL20742248
Basic Information
CAS
1034901-50-2
Multi CAS
Yes
Molecular Formula
C18H24Cl2N2Ni
Molecular Weight
398.000000
Exact Mass
396.066996
SMILES
CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C.Cl[Ni]Cl
InChI
InChI=1S/C18H24N2.2ClH.Ni/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;;;/h7-12H,1-6H3;2*1H;/q;;;+2/p-2
InChIKey
PCWIKFRTCXESOT-UHFFFAOYSA-L
Synonyms
MFCD31807325
SCHEMBL20742248
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
96.57
TPSA
25.78
LogP / Solubility
WLOGP
6.12
MLOGP
5.41
XLogP3
6.12
Consensus LogP
5.88
Log S (ESOL)
-6.48
Class (ESOL)
Insoluble
Log S (Ali)
-7.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.44
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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