![CAS 1372719-97-5 (R)-2,2′,3,3′-Tetrahydro-6,6′-bis(triphenylsilyl)-1,1′-spirobi[1H-indene]-7,7′-diol,99%e.e. molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1372719-97-5.gif)
CAS RN: 1372719-97-5
(R)-2,2′,3,3′-Tetrahydro-6,6′-bis(triphenylsilyl)-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.20250510 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1372719-97-5
- Purity/Analytical Methods: >99.0%
1372719-97-5 / 5,5'-bis(triphenylsilyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
Basic Information
CAS
1372719-97-5
Multi CAS
No
Molecular Formula
C53H44O2Si2
Molecular Weight
769.100000
Exact Mass
768.287984
SMILES
C1CC2(CCC3=C2C(=C(C=C3)[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O)C7=C1C=CC(=C7O)[Si](C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1
InChI
InChI=1S/C53H44O2Si2/c54-51-47(56(41-19-7-1-8-20-41,42-21-9-2-10-22-42)43-23-11-3-12-24-43)33-31-39-35-37-53(49(39)51)38-36-40-32-34-48(52(55)50(40)53)57(44-25-13-4-14-26-44,45-27-15-5-16-28-45)46-29-17-6-18-30-46/h1-34,54-55H,35-38H2
InChIKey
QYTWUHYNIMMMKC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
57
Aromatic heavy atom count
48
Fraction Csp3
0.09
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
2
Molar refractivity
240.87
TPSA
40.46
LogP / Solubility
WLOGP
6.03
MLOGP
5.38
XLogP3
6.03
Consensus LogP
5.81
Log S (ESOL)
-8.5
Class (ESOL)
Insoluble
Log S (Ali)
-10.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.62
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)
-3.13
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
8.5
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