CAS RN: 791616-68-7
R-3,3′-bis(4-nitrophenyl)-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-binaphthyl-2,2′-diyl hydrogenphosphate
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251018 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS791616-68-7
- Purity/Analytical Methods: >99.0%
791616-68-7 / 13-hydroxy-10,16-bis(4-nitrophenyl)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaene 13-oxide
Basic Information
CAS
791616-68-7
Multi CAS
No
Molecular Formula
C32H27N2O8P
Molecular Weight
598.500000
Exact Mass
598.150503
InChI
InChI=1S/C32H27N2O8P/c35-33(36)23-13-9-19(10-14-23)27-17-21-5-1-3-7-25(21)29-30-26-8-4-2-6-22(26)18-28(20-11-15-24(16-12-20)34(37)38)32(30)42-43(39,40)41-31(27)29/h9-18H,1-8H2,(H,39,40)
InChIKey
HMXOXEKKLIMHRF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
24
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
160.42
TPSA
142.04
LogP / Solubility
WLOGP
8.13
MLOGP
7.21
XLogP3
8
Consensus LogP
7.78
Log S (ESOL)
-8.82
Class (ESOL)
Insoluble
Log S (Ali)
-10.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.78
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)
-0.6
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
6
Customers Also Viewed
-
![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](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
R-3,3′-bis[4-(trifluoroMethyl)phenyl]-5,5′,6,6′,7,7′,8,8′-octahydro-[1,1′-Binaphthalene]-2,2′-diol
- CAS RN: 791616-69-8
- Product Code: SSC-188391
-
(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
- CAS RN: 791616-70-1
- Product Code: SSC-188392
-
-
-
-
![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)
