![CAS 791616-67-6 (R)-5,5′,6,6′,7,7′,8,8′-Octahydro-3,3′-bis(4-nitrophenyl)-[1,1′-binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/791616-67-6.gif)
CAS RN: 791616-67-6
(R)-5,5′,6,6′,7,7′,8,8′-Octahydro-3,3′-bis(4-nitrophenyl)-[1,1′-binaphthalene]-2,2′-diol
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260604 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS791616-67-6
- Purity/Analytical Methods: >99.0%
791616-67-6 / 1-[2-hydroxy-3-(4-nitrophenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(4-nitrophenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
Basic Information
CAS
791616-67-6
Multi CAS
No
Molecular Formula
C32H28N2O6
Molecular Weight
536.600000
Exact Mass
536.194737
InChI
InChI=1S/C32H28N2O6/c35-31-27(19-9-13-23(14-10-19)33(37)38)17-21-5-1-3-7-25(21)29(31)30-26-8-4-2-6-22(26)18-28(32(30)36)20-11-15-24(16-12-20)34(39)40/h9-18,35-36H,1-8H2
InChIKey
JSESLMBODIOLEW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
152.67
TPSA
126.74
LogP / Solubility
WLOGP
7.67
MLOGP
6.79
XLogP3
8.5
Consensus LogP
7.65
Log S (ESOL)
-8.11
Class (ESOL)
Insoluble
Log S (Ali)
-9.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.55
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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(11bR)-8,9,10,11,12,13,14,15-Octahydro-4-hydroxy-2,6-bis[4-(trifluoromethyl)phenyl]-4-oxide-dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin
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![CAS 791616-69-8 R-3,3′-bis[4-(trifluoroMethyl)phenyl]-5,5′,6,6′,7,7′,8,8′-octahydro-[1,1′-Binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/791616-69-8.gif)
![CAS 791616-70-1 (11bR)-8,9,10,11,12,13,14,15-Octahydro-4-hydroxy-2,6-bis[4-(trifluoromethyl)phenyl]-4-oxide-dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/791616-70-1.gif)
