![CAS 442519-81-5 (T-4)-Dichloro[(oxydi-2,1-phenylene)bis[diphenylphosphine]]nickel molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/442519-81-5.gif)
CAS RN: 442519-81-5
(T-4)-Dichloro[(oxydi-2,1-phenylene)bis[diphenylphosphine]]nickel
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260102 | 100mg | In stock | Shenzhen, Chengdu | Inquiry | |
| Batchno.20250525 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250719 | 1g | In stock | Tianjin | Inquiry | |
| Batchno.20250128 | 250mg | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260618 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS442519-81-5
- Purity/Analytical Methods: >99.0%
442519-81-5 / [2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;nickel;dihydrochloride
Basic Information
CAS
442519-81-5
Multi CAS
Yes
Molecular Formula
C36H30CL2NIOP2
Molecular Weight
670.200000
Exact Mass
668.050237
InChI
InChI=1S/C36H28OP2.2ClH.Ni/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;;;/h1-28H;2*1H;/q;;;+2/p-2
InChIKey
WQJXLSCKBUFSAH-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
36
Rotatable bonds
8
H-bond acceptors
1
H-bond donors
2
Molar refractivity
184.87
TPSA
9.23
LogP / Solubility
WLOGP
7.84
MLOGP
6.95
XLogP3
7.84
Consensus LogP
7.54
Log S (ESOL)
-9.04
Class (ESOL)
Insoluble
Log S (Ali)
-10.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.48
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)
-1.24
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
5.5
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