![CAS 1352810-34-4 (R)-2,2′,3,3′-Tetrahydro-6,6′-bis([1,1′:3′,1”-terphenyl]-5′-yl)-1,1′-spirobi[1H-indene]-7,7′-diol,99%e.e. molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1352810-34-4.gif)
CAS RN: 1352810-34-4
(R)-2,2′,3,3′-Tetrahydro-6,6′-bis([1,1′:3′,1”-terphenyl]-5′-yl)-1,1′-spirobi[1H-indene]-7,7′-diol,99%e.e.
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250709 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1352810-34-4
- Purity/Analytical Methods: >99.0%
1352810-34-4 / 5,5'-bis(3,5-diphenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
Basic Information
CAS
1352810-34-4
Multi CAS
No
Molecular Formula
C53H40O2
Molecular Weight
708.900000
Exact Mass
708.302831
SMILES
C1CC2(CCC3=C2C(=C(C=C3)C4=CC(=CC(=C4)C5=CC=CC=C5)C6=CC=CC=C6)O)C7=C1C=CC(=C7O)C8=CC(=CC(=C8)C9=CC=CC=C9)C1=CC=CC=C1
InChI
InChI=1S/C53H40O2/c54-51-47(45-31-41(35-13-5-1-6-14-35)29-42(32-45)36-15-7-2-8-16-36)23-21-39-25-27-53(49(39)51)28-26-40-22-24-48(52(55)50(40)53)46-33-43(37-17-9-3-10-18-37)30-44(34-46)38-19-11-4-12-20-38/h1-24,29-34,54-55H,25-28H2
InChIKey
IEDASGLQMOOCIX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
55
Aromatic heavy atom count
48
Fraction Csp3
0.09
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
226.25
TPSA
40.46
LogP / Solubility
WLOGP
13.28
MLOGP
11.75
XLogP3
13.8
Consensus LogP
12.94
Log S (ESOL)
-12.85
Class (ESOL)
Insoluble
Log S (Ali)
-14.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.01
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)
2.38
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5
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