![CAS 1204609-08-4 (S)-3,3′-Bis(4-chlorophenyl)-[1,1′-binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1204609-08-4.gif)
CAS RN: 1204609-08-4
(S)-3,3′-Bis(4-chlorophenyl)-[1,1′-binaphthalene]-2,2′-diol
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250210 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260104 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260122 | 1g | In stock | Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260214 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20251217 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS1204609-08-4
- Purity/Analytical Methods: >99.0%
1204609-08-4 / 3-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
(S)-3,3'-Bis(4-chlorophenyl)-[1,1'-binaphthalene]-2,2'-diol | (R)-3,3'-Bis(4-chlorophenyl)-[1,1'-binaphthalene]-2,2'-diol | (S)-33'-Bis(4-chlorophenyl)-[11'-binaphthalene]-22'-diol
Basic Information
CAS
1204609-08-4
Multi CAS
No
Molecular Formula
C32H20Cl2O2
Molecular Weight
507.400000
Exact Mass
506.084035
SMILES
C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)C5=CC=C(C=C5)Cl)O)O)C6=CC=C(C=C6)Cl
InChI
InChI=1S/C32H20Cl2O2/c33-23-13-9-19(10-14-23)27-17-21-5-1-3-7-25(21)29(31(27)35)30-26-8-4-2-6-22(26)18-28(32(30)36)20-11-15-24(34)16-12-20/h1-18,35-36H
InChIKey
QKVNDUQKTMJTNG-UHFFFAOYSA-N
Synonyms
(S)-3,3'-Bis(4-chlorophenyl)-[1,1'-binaphthalene]-2,2'-diol
(R)-3,3'-Bis(4-chlorophenyl)-[1,1'-binaphthalene]-2,2'-diol
(S)-33'-Bis(4-chlorophenyl)-[11'-binaphthalene]-22'-diol
(1R)-3,3'-Bis(4-chlorophenyl)[1,1'-binaphthalene]-2,2'-diol
C32H20Cl2O2
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
32
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
151.11
TPSA
40.46
LogP / Solubility
WLOGP
9.71
MLOGP
8.58
XLogP3
9.8
Consensus LogP
9.36
Log S (ESOL)
-9.56
Class (ESOL)
Insoluble
Log S (Ali)
-10.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.38
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)
1.08
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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