![CAS 1372719-96-4 (1R)- 2,2′,3,3′-tetrahydro-6,6′-di-9-phenanthrenyl-1,1′-Spirobi[1H-indene]-7,7′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1372719-96-4.gif)
CAS RN: 1372719-96-4
(1R)- 2,2′,3,3′-tetrahydro-6,6′-di-9-phenanthrenyl-1,1′-Spirobi[1H-indene]-7,7′-diol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260127 | 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1372719-96-4
- Purity/Analytical Methods: >99.0%
1372719-96-4 / 5,5'-di(phenanthren-9-yl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
Basic Information
CAS
1372719-96-4
Multi CAS
No
Molecular Formula
C45H32O2
Molecular Weight
604.700000
Exact Mass
604.240230
SMILES
C1CC2(CCC3=C2C(=C(C=C3)C4=CC5=CC=CC=C5C6=CC=CC=C64)O)C7=C1C=CC(=C7O)C8=CC9=CC=CC=C9C1=CC=CC=C18
InChI
InChI=1S/C45H32O2/c46-43-37(39-25-29-9-1-3-11-31(29)33-13-5-7-15-35(33)39)19-17-27-21-23-45(41(27)43)24-22-28-18-20-38(44(47)42(28)45)40-26-30-10-2-4-12-32(30)34-14-6-8-16-36(34)40/h1-20,25-26,46-47H,21-24H2
InChIKey
YGFMWLSINWYYOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Aromatic heavy atom count
40
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
194.53
TPSA
40.46
LogP / Solubility
WLOGP
11.22
MLOGP
9.92
XLogP3
12.3
Consensus LogP
11.15
Log S (ESOL)
-11.16
Class (ESOL)
Insoluble
Log S (Ali)
-12.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.15
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)
1.56
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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![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)
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