![CAS 878049-66-2 R-3,3′-bis([1,1′-biphenyl]-4-yl)-5,5′,6,6′,7,7′,8,8′-octahydro-[1,1′-Binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/878049-66-2.gif)
CAS RN: 878049-66-2
R-3,3′-bis([1,1′-biphenyl]-4-yl)-5,5′,6,6′,7,7′,8,8′-octahydro-[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 | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260404 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-198110
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 |
878049-66-2 / 1-[2-hydroxy-3-(4-phenylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(4-phenylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
Basic Information
CAS
878049-66-2
Multi CAS
No
Molecular Formula
C44H38O2
Molecular Weight
598.800000
Exact Mass
598.287180
InChI
InChI=1S/C44H38O2/c45-43-39(33-23-19-31(20-24-33)29-11-3-1-4-12-29)27-35-15-7-9-17-37(35)41(43)42-38-18-10-8-16-36(38)28-40(44(42)46)34-25-21-32(22-26-34)30-13-5-2-6-14-30/h1-6,11-14,19-28,45-46H,7-10,15-18H2
InChIKey
ZVKPRFJQGAVZQO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
36
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
190.24
TPSA
40.46
LogP / Solubility
WLOGP
11.19
MLOGP
9.9
XLogP3
12.1
Consensus LogP
11.06
Log S (ESOL)
-10.85
Class (ESOL)
Insoluble
Log S (Ali)
-12.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.44
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)
1.57
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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