![CAS 1258326-98-5 (1S)-2,2′,3,3′-tetrahydro-6,6′-diphenyl-1,1′-Spirobi[1H-indene]-7,7′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1258326-98-5.gif)
CAS RN: 1258326-98-5
(1S)-2,2′,3,3′-tetrahydro-6,6′-diphenyl-1,1′-Spirobi[1H-indene]-7,7′-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.20250217 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1258326-98-5
- Purity/Analytical Methods: >99.0%
1258326-98-5 / 5,5'-diphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
Basic Information
CAS
1258326-98-5
Multi CAS
No
Molecular Formula
C29H24O2
Molecular Weight
404.500000
Exact Mass
404.177630
SMILES
C1CC2(CCC3=C2C(=C(C=C3)C4=CC=CC=C4)O)C5=C1C=CC(=C5O)C6=CC=CC=C6
InChI
InChI=1S/C29H24O2/c30-27-23(19-7-3-1-4-8-19)13-11-21-15-17-29(25(21)27)18-16-22-12-14-24(28(31)26(22)29)20-9-5-2-6-10-20/h1-14,30-31H,15-18H2
InChIKey
KHSOMFOPCBJBMA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
24
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
124.51
TPSA
40.46
LogP / Solubility
WLOGP
6.61
MLOGP
5.84
XLogP3
7.3
Consensus LogP
6.58
Log S (ESOL)
-6.95
Class (ESOL)
Insoluble
Log S (Ali)
-7.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.02
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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