![CAS 941321-23-9 Nickel, Bis[(1R,2R)-N1,N2-bis(phenylmethyl)-1,2-cyclohexanediamine-N1,N2]dibromo-, (OC-6-12)-2 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/941321-23-9.gif)
CAS RN: 941321-23-9
Nickel, Bis[(1R,2R)-N1,N2-bis(phenylmethyl)-1,2-cyclohexanediamine-N1,N2]dibromo-, (OC-6-12)-2
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: SSC-208697
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 |
941321-23-9 / bis(benzyl-[(1R,2R)-2-benzylazanidylcyclohexyl]azanide);dibromonickel
Basic Information
CAS
941321-23-9
Multi CAS
Yes
Molecular Formula
C40H48BR2N4NI-4
Molecular Weight
803.300000
Exact Mass
802.157860
InChI
InChI=1S/2C20H24N2.2BrH.Ni/c2*1-3-9-17(10-4-1)15-21-19-13-7-8-14-20(19)22-16-18-11-5-2-6-12-18;;;/h2*1-6,9-12,19-20H,7-8,13-16H2;2*1H;/q2*-2;;;+2/p-2/t2*19-,20-;;;/m11.../s1
InChIKey
YUBKELUYFGSGFU-UCRAYSPWSA-L
Computed Properties
Structural Parameters
Heavy atom count
47
Aromatic heavy atom count
24
Fraction Csp3
0.4
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
203.96
TPSA
56.4
LogP / Solubility
WLOGP
12.58
MLOGP
11.14
XLogP3
12.58
Consensus LogP
12.1
Log S (ESOL)
-12.33
Class (ESOL)
Insoluble
Log S (Ali)
-15.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.76
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.31
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5
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