CAS RN: 1205537-79-6
R-3,3′-bis(1-Naphthyl)-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-bi-2,2′-naphthol
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.20250502 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1205537-79-6
- Purity/Analytical Methods: >99.0%
1205537-79-6 / 1-(2-hydroxy-3-naphthalen-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-naphthalen-1-yl-5,6,7,8-tetrahydronaphthalen-2-ol
(R)-3,3'-Bis(1-naphthyl)-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2,2'-naphthol | (S)-3,3'-Bis(1-naphthyl)-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2,2'-naphthol | MFCD31560043
Basic Information
CAS
1205537-79-6
Multi CAS
No
Molecular Formula
C40H34O2
Molecular Weight
546.700000
Exact Mass
546.255880
SMILES
C1CCC2=C(C(=C(C=C2C1)C3=CC=CC4=CC=CC=C43)O)C5=C6CCCCC6=CC(=C5O)C7=CC=CC8=CC=CC=C87
InChI
InChI=1S/C40H34O2/c41-39-35(33-21-9-15-25-11-1-5-17-29(25)33)23-27-13-3-7-19-31(27)37(39)38-32-20-8-4-14-28(32)24-36(40(38)42)34-22-10-16-26-12-2-6-18-30(26)34/h1-2,5-6,9-12,15-18,21-24,41-42H,3-4,7-8,13-14,19-20H2
InChIKey
ZSQIUROEJJSLEP-UHFFFAOYSA-N
Synonyms
(R)-3,3'-Bis(1-naphthyl)-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2,2'-naphthol
(S)-3,3'-Bis(1-naphthyl)-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2,2'-naphthol
MFCD31560043
(S)-5',5'',6',6'',7',7'',8',8''-Octahydro-[1,2':4',1'':3'',1'''-quaternaphthalene]-2'',3'-diol
R-3,3'-bis(1-Naphthyl)-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2,2'-naphthol
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
32
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
174.38
TPSA
40.46
LogP / Solubility
WLOGP
10.16
MLOGP
8.98
XLogP3
11.3
Consensus LogP
10.15
Log S (ESOL)
-10
Class (ESOL)
Insoluble
Log S (Ali)
-11.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.01
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)
1.16
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5
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