![CAS 575451-08-0 S-5,5′,6,6′,7,7′,8,8′-octahydro-3,3′-diphenyl-[1,1′-Binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/575451-08-0.gif)
CAS RN: 575451-08-0
S-5,5′,6,6′,7,7′,8,8′-octahydro-3,3′-diphenyl-[1,1′-Binaphthalene]-2,2′-diol
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250305 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS575451-08-0
- Purity/Analytical Methods: >99.0%
575451-08-0 / 1-(2-hydroxy-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
Basic Information
CAS
575451-08-0
Multi CAS
No
Molecular Formula
C32H30O2
Molecular Weight
446.600000
Exact Mass
446.224580
InChI
InChI=1S/C32H30O2/c33-31-27(21-11-3-1-4-12-21)19-23-15-7-9-17-25(23)29(31)30-26-18-10-8-16-24(26)20-28(32(30)34)22-13-5-2-6-14-22/h1-6,11-14,19-20,33-34H,7-10,15-18H2
InChIKey
NQCCAEIQKQKTDR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
24
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
139.36
TPSA
40.46
LogP / Solubility
WLOGP
7.86
MLOGP
6.94
XLogP3
8.8
Consensus LogP
7.87
Log S (ESOL)
-7.88
Class (ESOL)
Insoluble
Log S (Ali)
-8.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.44
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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