![CAS 1621066-71-4 (S)-2,2′,3,3′-Tetrahydro-6,6′-bis[4-(trifluoromethyl)phenyl]-1,1′-spirobi[1H-indene]-7,7′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1621066-71-4.gif)
CAS RN: 1621066-71-4
(S)-2,2′,3,3′-Tetrahydro-6,6′-bis[4-(trifluoromethyl)phenyl]-1,1′-spirobi[1H-indene]-7,7′-diol
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260101 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1621066-71-4
- Purity/Analytical Methods: >99.0%
1621066-71-4 / 5,5'-bis[4-(trifluoromethyl)phenyl]-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
Basic Information
CAS
1621066-71-4
Multi CAS
No
Molecular Formula
C31H22F6O2
Molecular Weight
540.500000
Exact Mass
540.152399
SMILES
C1CC2(CCC3=C2C(=C(C=C3)C4=CC=C(C=C4)C(F)(F)F)O)C5=C1C=CC(=C5O)C6=CC=C(C=C6)C(F)(F)F
InChI
InChI=1S/C31H22F6O2/c32-30(33,34)21-7-1-17(2-8-21)23-11-5-19-13-15-29(25(19)27(23)38)16-14-20-6-12-24(28(39)26(20)29)18-3-9-22(10-4-18)31(35,36)37/h1-12,38-39H,13-16H2
InChIKey
UYODDMGKGRQHHQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
24
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
134.51
TPSA
40.46
LogP / Solubility
WLOGP
8.65
MLOGP
7.65
XLogP3
9.1
Consensus LogP
8.47
Log S (ESOL)
-8.96
Class (ESOL)
Insoluble
Log S (Ali)
-10.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.59
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)
0.12
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5
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