CAS RN: 219757-68-3
R-2,2′-diMethoxy-3,3′-diphenyl-1,1′-Binaphthalene
Product Availability
Choose a grade to view its available package options.
4 package records1 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251105 | 100mg / 500mg / 1g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS219757-68-3
- Purity/Analytical Methods: >99.0%
219757-68-3 / 2-methoxy-1-(2-methoxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalene
Basic Information
CAS
219757-68-3
Multi CAS
No
Molecular Formula
C34H26O2
Molecular Weight
466.600000
Exact Mass
466.193280
SMILES
COC1=C(C2=CC=CC=C2C=C1C3=CC=CC=C3)C4=C(C(=CC5=CC=CC=C54)C6=CC=CC=C6)OC
InChI
InChI=1S/C34H26O2/c1-35-33-29(23-13-5-3-6-14-23)21-25-17-9-11-19-27(25)31(33)32-28-20-12-10-18-26(28)22-30(34(32)36-2)24-15-7-4-8-16-24/h3-22H,1-2H3
InChIKey
BHHYDLAKGCKUEX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
32
Fraction Csp3
0.06
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
150.87
TPSA
18.46
LogP / Solubility
WLOGP
9.01
MLOGP
7.96
XLogP3
9.2
Consensus LogP
8.72
Log S (ESOL)
-8.74
Class (ESOL)
Insoluble
Log S (Ali)
-9.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.77
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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