![CAS 879505-38-1 N,N’-(1S)-[1,1′-binaphthalene]-2,2′-diylbis[2-(diphenylphosphino)-BenzaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/879505-38-1.gif)
CAS RN: 879505-38-1
N,N’-(1S)-[1,1′-binaphthalene]-2,2′-diylbis[2-(diphenylphosphino)-BenzaMide
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260512 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS879505-38-1
- Purity/Analytical Methods: >99.0%
879505-38-1 / 2-diphenylphosphanyl-N-[1-[2-[(2-diphenylphosphanylbenzoyl)amino]naphthalen-1-yl]naphthalen-2-yl]benzamide
Basic Information
CAS
879505-38-1
Multi CAS
Yes
Molecular Formula
C58H42N2O2P2
Molecular Weight
860.900000
Exact Mass
860.272153
InChI
InChI=1S/C58H42N2O2P2/c61-57(49-33-17-19-35-53(49)63(43-23-5-1-6-24-43)44-25-7-2-8-26-44)59-51-39-37-41-21-13-15-31-47(41)55(51)56-48-32-16-14-22-42(48)38-40-52(56)60-58(62)50-34-18-20-36-54(50)64(45-27-9-3-10-28-45)46-29-11-4-12-30-46/h1-40H,(H,59,61)(H,60,62)
InChIKey
DQKIOHHUGWDBKJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
64
Aromatic heavy atom count
56
Rotatable bonds
11
H-bond acceptors
2
H-bond donors
2
Molar refractivity
273.09
TPSA
58.2
LogP / Solubility
WLOGP
11.68
MLOGP
10.36
XLogP3
13.1
Consensus LogP
11.71
Log S (ESOL)
-12.46
Class (ESOL)
Insoluble
Log S (Ali)
-15.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.27
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.32
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5
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