CAS RN: 618854-91-4
R-3,3′-bis(3,5-bis(trifluoroMethyl)phenyl)-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-bi-2,2′-naphthol
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.20250207 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS618854-91-4
- Purity/Analytical Methods: >99.0%
618854-91-4 / 3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
Basic Information
CAS
618854-91-4
Multi CAS
No
Molecular Formula
C36F12H26O2
Molecular Weight
718.600000
Exact Mass
718.174118
InChI
InChI=1S/C36H26F12O2/c37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29(31(27)49)30-26-8-4-2-6-18(26)14-28(32(30)50)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48/h9-16,49-50H,1-8H2
InChIKey
IZGSABWUJQZVAQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
50
Aromatic heavy atom count
24
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
159.37
TPSA
40.46
LogP / Solubility
WLOGP
11.93
MLOGP
10.56
XLogP3
12.4
Consensus LogP
11.63
Log S (ESOL)
-11.97
Class (ESOL)
Insoluble
Log S (Ali)
-14.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.59
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)
1.37
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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