![CAS 1011465-21-6 R-3,3′-di-9-anthracenyl-5,5′,6,6′,7,7′,8,8′-octahydro-[1,1′-Binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1011465-21-6.gif)
CAS RN: 1011465-21-6
R-3,3′-di-9-anthracenyl-5,5′,6,6′,7,7′,8,8′-octahydro-[1,1′-Binaphthalene]-2,2′-diol
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250318 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1011465-21-6
- Purity/Analytical Methods: >99.0%
1011465-21-6 / 3-anthracen-9-yl-1-(3-anthracen-9-yl-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
(S)-3,3'-Di-9-anthracenyl-5,5',6,6',7,7',8,8'-octahydro-[1,1'-binaphthalene]-2,2'-diol | (R)-3,3'-Di-9-anthracenyl-5,5',6,6',7,7',8,8'-octahydro-[1,1'-binaphthalene]-2,2'-diol | (1R)-3,3'-Di-9-anthracenyl-5,5',6,6',7,7',8,8'-octahydro-[1,1'-binaphthalene]-2,2'-diol
Basic Information
CAS
1011465-21-6
Multi CAS
No
Molecular Formula
C48H38O2
Molecular Weight
646.800000
Exact Mass
646.287180
SMILES
C1CCC2=C(C(=C(C=C2C1)C3=C4C=CC=CC4=CC5=CC=CC=C53)O)C6=C7CCCCC7=CC(=C6O)C8=C9C=CC=CC9=CC1=CC=CC=C18
InChI
InChI=1S/C48H38O2/c49-47-41(43-35-19-7-1-13-29(35)25-30-14-2-8-20-36(30)43)27-33-17-5-11-23-39(33)45(47)46-40-24-12-6-18-34(40)28-42(48(46)50)44-37-21-9-3-15-31(37)26-32-16-4-10-22-38(32)44/h1-4,7-10,13-16,19-22,25-28,49-50H,5-6,11-12,17-18,23-24H2
InChIKey
YPHADLIUPBJHAW-UHFFFAOYSA-N
Synonyms
(S)-3,3'-Di-9-anthracenyl-5,5',6,6',7,7',8,8'-octahydro-[1,1'-binaphthalene]-2,2'-diol
(R)-3,3'-Di-9-anthracenyl-5,5',6,6',7,7',8,8'-octahydro-[1,1'-binaphthalene]-2,2'-diol
(1R)-3,3'-Di-9-anthracenyl-5,5',6,6',7,7',8,8'-octahydro-[1,1'-binaphthalene]-2,2'-diol
[1,1'-Binaphthalene]-2,2'-diol, 3,3'-di-9-anthracenyl-5,5',6,6',7,7',8,8'-octahydro-, (1R)-
MFCD30541636
Computed Properties
Structural Parameters
Heavy atom count
50
Aromatic heavy atom count
40
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
209.39
TPSA
40.46
LogP / Solubility
WLOGP
12.47
MLOGP
11.03
XLogP3
13.8
Consensus LogP
12.43
Log S (ESOL)
-12.1
Class (ESOL)
Insoluble
Log S (Ali)
-13.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.57
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)
2.19
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
7.5
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