![CAS 1258326-99-6 (1S)- 6,6′-bis(4-chlorophenyl)-2,2′,3,3′-tetrahydro-1,1′-Spirobi[1H-indene]-7,7′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1258326-99-6.gif)
CAS RN: 1258326-99-6
(1S)- 6,6′-bis(4-chlorophenyl)-2,2′,3,3′-tetrahydro-1,1′-Spirobi[1H-indene]-7,7′-diol
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.20251016 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1258326-99-6
- Purity/Analytical Methods: >99.0%
1258326-99-6 / 5,5'-bis(4-chlorophenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
Basic Information
CAS
1258326-99-6
Multi CAS
No
Molecular Formula
C29H22Cl2O2
Molecular Weight
473.400000
Exact Mass
472.099685
SMILES
C1CC2(CCC3=C2C(=C(C=C3)C4=CC=C(C=C4)Cl)O)C5=C1C=CC(=C5O)C6=CC=C(C=C6)Cl
InChI
InChI=1S/C29H22Cl2O2/c30-21-7-1-17(2-8-21)23-11-5-19-13-15-29(25(19)27(23)32)16-14-20-6-12-24(28(33)26(20)29)18-3-9-22(31)10-4-18/h1-12,32-33H,13-16H2
InChIKey
OECHZYWTGWPLGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
24
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
134.53
TPSA
40.46
LogP / Solubility
WLOGP
7.92
MLOGP
7
XLogP3
8.6
Consensus LogP
7.84
Log S (ESOL)
-8.17
Class (ESOL)
Insoluble
Log S (Ali)
-9.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.55
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)
0.01
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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