CAS RN: 1402852-05-4
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 records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251022 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1402852-05-4
- Purity/Analytical Methods: >99.0%
1402852-05-4 / 3-(3,5-dimethylphenyl)-1-[3-(3,5-dimethylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
Basic Information
CAS
1402852-05-4
Multi CAS
No
Molecular Formula
C36H38O2
Molecular Weight
502.700000
Exact Mass
502.287180
SMILES
CC1=CC(=CC(=C1)C2=C(C(=C3CCCCC3=C2)C4=C5CCCCC5=CC(=C4O)C6=CC(=CC(=C6)C)C)O)C
InChI
InChI=1S/C36H38O2/c1-21-13-22(2)16-27(15-21)31-19-25-9-5-7-11-29(25)33(35(31)37)34-30-12-8-6-10-26(30)20-32(36(34)38)28-17-23(3)14-24(4)18-28/h13-20,37-38H,5-12H2,1-4H3
InChIKey
RSHMDLJRFPHHRE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
24
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
158.31
TPSA
40.46
LogP / Solubility
WLOGP
9.09
MLOGP
8.04
XLogP3
10.3
Consensus LogP
9.14
Log S (ESOL)
-8.95
Class (ESOL)
Insoluble
Log S (Ali)
-10.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.83
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)
0.67
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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