![CAS 615247-86-4 S-3,3′-diiodo-[1,1′-Binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/615247-86-4.gif)
CAS RN: 615247-86-4
S-3,3′-diiodo-[1,1′-Binaphthalene]-2,2′-diol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250213 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS615247-86-4
- Purity/Analytical Methods: >99.0%
615247-86-4 / 1-(2-hydroxy-3-iodonaphthalen-1-yl)-3-iodonaphthalen-2-ol
Basic Information
CAS
615247-86-4
Multi CAS
No
Molecular Formula
C20H12I2O2
Molecular Weight
538.100000
Exact Mass
537.892670
InChI
InChI=1S/C20H12I2O2/c21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24/h1-10,23-24H
InChIKey
AGYZAQQARDBULW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
20
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
115.65
TPSA
40.46
LogP / Solubility
WLOGP
6.28
MLOGP
5.57
XLogP3
6.6
Consensus LogP
6.15
Log S (ESOL)
-7.68
Class (ESOL)
Insoluble
Log S (Ali)
-8.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.49
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)
-1.54
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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