![CAS 1539285-81-8 (R)-3,3′-Bis([1,1′:3′,1”-terphenyl]-5′-yl)-[1,1′-binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1539285-81-8.gif)
CAS RN: 1539285-81-8
(R)-3,3′-Bis([1,1′:3′,1”-terphenyl]-5′-yl)-[1,1′-binaphthalene]-2,2′-diol
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251205 | 100mg | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260104 | 1g | In stock | Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250608 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250920 | 5g | Out of stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250509 | 20mg / 100mg / 500mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-063308
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: 1g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1539285-81-8 / 3-(3,5-diphenylphenyl)-1-[3-(3,5-diphenylphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
Basic Information
CAS
1539285-81-8
Multi CAS
No
Molecular Formula
C56H38O2
Molecular Weight
742.900000
Exact Mass
742.287180
SMILES
C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC4=CC=CC=C4C(=C3O)C5=C(C(=CC6=CC=CC=C65)C7=CC(=CC(=C7)C8=CC=CC=C8)C9=CC=CC=C9)O)C1=CC=CC=C1
InChI
InChI=1S/C56H38O2/c57-55-51(47-31-43(37-17-5-1-6-18-37)29-44(32-47)38-19-7-2-8-20-38)35-41-25-13-15-27-49(41)53(55)54-50-28-16-14-26-42(50)36-52(56(54)58)48-33-45(39-21-9-3-10-22-39)30-46(34-48)40-23-11-4-12-24-40/h1-36,57-58H
InChIKey
FSVFHSXATSQDBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
58
Aromatic heavy atom count
56
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
2
Molar refractivity
242.84
TPSA
40.46
LogP / Solubility
WLOGP
15.07
MLOGP
13.33
XLogP3
15.1
Consensus LogP
14.5
Log S (ESOL)
-14.19
Class (ESOL)
Insoluble
Log S (Ali)
-16.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.84
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)
3.45
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5
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