![CAS 528521-87-1 (R)-(+)-7,7′-BIS[DI(4-METHYLPHENYL)PHOSPHINO]-2,2′,3,3′-TETRAHYDRO-1,1′-SPIROBIINDANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/528521-87-1.gif)
CAS RN: 528521-87-1
(R)-(+)-7,7′-BIS[DI(4-METHYLPHENYL)PHOSPHINO]-2,2′,3,3′-TETRAHYDRO-1,1′-SPIROBIINDANE
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250404 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260620 | 10mg | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20251110 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260115 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260611 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250712 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS528521-87-1
- Purity/Analytical Methods: >99.0%
528521-87-1 / [4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane
Basic Information
CAS
528521-87-1
Multi CAS
Yes
Molecular Formula
C45H42P2
Molecular Weight
644.800000
Exact Mass
644.276175
InChI
InChI=1S/C45H42P2/c1-31-11-19-37(20-12-31)46(38-21-13-32(2)14-22-38)41-9-5-7-35-27-29-45(43(35)41)30-28-36-8-6-10-42(44(36)45)47(39-23-15-33(3)16-24-39)40-25-17-34(4)18-26-40/h5-26H,27-30H2,1-4H3
InChIKey
VLIOMJFCGWZUON-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Aromatic heavy atom count
36
Fraction Csp3
0.2
Rotatable bonds
6
Molar refractivity
206.67
TPSA
0.0000
LogP / Solubility
WLOGP
8.62
MLOGP
7.63
XLogP3
11.6
Consensus LogP
9.28
Log S (ESOL)
-9.44
Class (ESOL)
Insoluble
Log S (Ali)
-11.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.72
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
7.5
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