![CAS 1522367-79-8 (1R)-5,5′,6,6′,7,7′,8,8′-octahydro-3,3′-bis[2,4,6-tris(1-Methylethyl)phenyl]-[1,1′-Binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1522367-79-8.gif)
CAS RN: 1522367-79-8
(1R)-5,5′,6,6′,7,7′,8,8′-octahydro-3,3′-bis[2,4,6-tris(1-Methylethyl)phenyl]-[1,1′-Binaphthalene]-2,2′-diol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250610 | 10mg / 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1522367-79-8
- Purity/Analytical Methods: >99.0%
1522367-79-8 / 1-[2-hydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[2,4,6-tri(propan-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
Basic Information
CAS
1522367-79-8
Multi CAS
No
Molecular Formula
C50H66O2
Molecular Weight
699.100000
Exact Mass
698.506281
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C(=C3CCCCC3=C2)C4=C5CCCCC5=CC(=C4O)C6=C(C=C(C=C6C(C)C)C(C)C)C(C)C)O)C(C)C
InChI
InChI=1S/C50H66O2/c1-27(2)35-23-39(29(5)6)45(40(24-35)30(7)8)43-21-33-17-13-15-19-37(33)47(49(43)51)48-38-20-16-14-18-34(38)22-44(50(48)52)46-41(31(9)10)25-36(28(3)4)26-42(46)32(11)12/h21-32,51-52H,13-20H2,1-12H3
InChIKey
DQHUFASTYWHBGA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
52
Aromatic heavy atom count
24
Fraction Csp3
0.52
Rotatable bonds
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
223.9
TPSA
40.46
LogP / Solubility
WLOGP
14.6
MLOGP
12.91
XLogP3
15.6
Consensus LogP
14.37
Log S (ESOL)
-13.12
Class (ESOL)
Insoluble
Log S (Ali)
-15.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.4
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)
3.38
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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