![CAS 1435948-31-4 (R)-3,3′-Bis(3,5-diisopropylphenyl)-[1,1′-binapthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB33119511(1).gif)
CAS RN: 1435948-31-4
(R)-3,3′-Bis(3,5-diisopropylphenyl)-[1,1′-binapthalene]-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 | Inquiry |
|---|---|---|---|
| Batchno.20250212 | 250mg | Out of stock | Inquiry |
- Product code: starshine_CAS1435948-31-4
- Purity/Analytical Methods: >99.0%
1435948-31-4 / 3-[3,5-di(propan-2-yl)phenyl]-1-[3-[3,5-di(propan-2-yl)phenyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
Basic Information
CAS
1435948-31-4
Multi CAS
No
Molecular Formula
C44H46O2
Molecular Weight
606.800000
Exact Mass
606.349781
SMILES
CC(C)C1=CC(=CC(=C1)C2=CC3=CC=CC=C3C(=C2O)C4=C(C(=CC5=CC=CC=C54)C6=CC(=CC(=C6)C(C)C)C(C)C)O)C(C)C
InChI
InChI=1S/C44H46O2/c1-25(2)31-17-32(26(3)4)20-35(19-31)39-23-29-13-9-11-15-37(29)41(43(39)45)42-38-16-12-10-14-30(38)24-40(44(42)46)36-21-33(27(5)6)18-34(22-36)28(7)8/h9-28,45-46H,1-8H3
InChIKey
WSDRIJXMYCUGAH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
32
Fraction Csp3
0.27
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
2
Molar refractivity
197.45
TPSA
40.46
LogP / Solubility
WLOGP
12.9
MLOGP
11.4
XLogP3
13.1
Consensus LogP
12.47
Log S (ESOL)
-11.78
Class (ESOL)
Insoluble
Log S (Ali)
-13.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.15
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)
2.74
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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