![CAS 1621066-21-4 S-3,3′-bis[4-(trifluoroMethyl)phenyl]-[1,1′-Binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB32657382.gif)
CAS RN: 1621066-21-4
S-3,3′-bis[4-(trifluoroMethyl)phenyl]-[1,1′-Binaphthalene]-2,2′-diol
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251201 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-069640
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1621066-21-4 / 1-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]naphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]naphthalen-2-ol
Basic Information
CAS
1621066-21-4
Multi CAS
No
Molecular Formula
C34H20F6O2
Molecular Weight
574.500000
Exact Mass
574.136749
SMILES
C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)C5=CC=C(C=C5)C(F)(F)F)O)O)C6=CC=C(C=C6)C(F)(F)F
InChI
InChI=1S/C34H20F6O2/c35-33(36,37)23-13-9-19(10-14-23)27-17-21-5-1-3-7-25(21)29(31(27)41)30-26-8-4-2-6-22(26)18-28(32(30)42)20-11-15-24(16-12-20)34(38,39)40/h1-18,41-42H
InChIKey
MPPKNZDKYNMNQP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
32
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
151.1
TPSA
40.46
LogP / Solubility
WLOGP
10.44
MLOGP
9.23
XLogP3
10.4
Consensus LogP
10.02
Log S (ESOL)
-10.35
Class (ESOL)
Insoluble
Log S (Ali)
-11.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.42
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)
1.19
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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