![CAS 215433-52-6 R-3,3′-bis([1,1′-biphenyl]-4-yl)-1,1′-Binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/215433-52-6.gif)
CAS RN: 215433-52-6
R-3,3′-bis([1,1′-biphenyl]-4-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.20250508 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS215433-52-6
- Purity/Analytical Methods: >99.0%
215433-52-6 / 1-[2-hydroxy-3-(4-phenylphenyl)naphthalen-1-yl]-3-(4-phenylphenyl)naphthalen-2-ol
Basic Information
CAS
215433-52-6
Multi CAS
No
Molecular Formula
C44H30O2
Molecular Weight
590.700000
Exact Mass
590.224580
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4C(=C3O)C5=C(C(=CC6=CC=CC=C65)C7=CC=C(C=C7)C8=CC=CC=C8)O
InChI
InChI=1S/C44H30O2/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/h1-28,45-46H
InChIKey
UDNBGUGDBXDKHD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
44
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
191.96
TPSA
40.46
LogP / Solubility
WLOGP
11.74
MLOGP
10.38
XLogP3
11.8
Consensus LogP
11.31
Log S (ESOL)
-11.28
Class (ESOL)
Insoluble
Log S (Ali)
-12.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.84
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)
2.01
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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