![CAS 1258327-00-2 (1S)- 6,6′-bis([1,1′-biphenyl]-4-yl)-2,2′,3,3′-tetrahydro-1,1′-Spirobi[1H-indene]-7,7′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1258327-00-2.gif)
CAS RN: 1258327-00-2
(1S)- 6,6′-bis([1,1′-biphenyl]-4-yl)-2,2′,3,3′-tetrahydro-1,1′-Spirobi[1H-indene]-7,7′-diol
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260511 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1258327-00-2
- Purity/Analytical Methods: >99.0%
1258327-00-2 / 5,5'-bis(4-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
Basic Information
CAS
1258327-00-2
Multi CAS
No
Molecular Formula
C41H32O2
Molecular Weight
556.700000
Exact Mass
556.240230
SMILES
C1CC2(CCC3=C2C(=C(C=C3)C4=CC=C(C=C4)C5=CC=CC=C5)O)C6=C1C=CC(=C6O)C7=CC=C(C=C7)C8=CC=CC=C8
InChI
InChI=1S/C41H32O2/c42-39-35(31-15-11-29(12-16-31)27-7-3-1-4-8-27)21-19-33-23-25-41(37(33)39)26-24-34-20-22-36(40(43)38(34)41)32-17-13-30(14-18-32)28-9-5-2-6-10-28/h1-22,42-43H,23-26H2
InChIKey
PVBUERACFIHEIF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
36
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
175.38
TPSA
40.46
LogP / Solubility
WLOGP
9.94
MLOGP
8.79
XLogP3
10.6
Consensus LogP
9.78
Log S (ESOL)
-9.91
Class (ESOL)
Insoluble
Log S (Ali)
-11.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.01
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)
0.94
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5
Customers Also Viewed
-
![CAS 1258327-01-3 (1S)-6,6′-bis[3,5-bis(trifluoroMethyl)phenyl]-2,2′,3,3′-tetrahydro-1,1′-Spirobi[1H-indene]-7,7′-diol molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(1S)-6,6′-bis[3,5-bis(trifluoroMethyl)phenyl]-2,2′,3,3′-tetrahydro-1,1′-Spirobi[1H-indene]-7,7′-diol
- CAS RN: 1258327-01-3
- Product Code: starshine_CAS1258327-01-3
- Purity/Analytical method: >99.0%
-
(1S)-2,2′,3,3′-tetrahydro-6,6′-di-1-naphthalenyl-1,1′-Spirobi[1H-indene]-7,7′-diol
- CAS RN: 1258327-02-4
- Product Code: starshine_CAS1258327-02-4
- Purity/Analytical method: >99.0%
-
(11aS)-5-hydroxy-10,11,12,13-tetrahydro-5-oxide-Diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin
- CAS RN: 1258327-03-5
- Product Code: starshine_CAS1258327-03-5
- Purity/Analytical method: >99.0%
-
(11aS)-10,11,12,13-Tetrahydro-5-hydroxy-3,7-diphenyl-diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-5-oxide
- CAS RN: 1258327-04-6
- Product Code: starshine_CAS1258327-04-6
- Purity/Analytical method: >99.0%
-
(11aS)-10,11,12,13-Tetrahydro-5-hydroxy-3,7-bis(4-chlorophenyl)-diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-5-oxide
- CAS RN: 1258327-05-7
- Product Code: starshine_CAS1258327-05-7
- Purity/Analytical method: >99.0%
-
(11aS)-10,11,12,13-Tetrahydro-5-hydroxy-3,7-bis([1,1′-biphenyl]-4-yl)-diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-5-oxide
- CAS RN: 1258327-06-8
- Product Code: starshine_CAS1258327-06-8
- Purity/Analytical method: >99.0%
![CAS 1258327-01-3 (1S)-6,6′-bis[3,5-bis(trifluoroMethyl)phenyl]-2,2′,3,3′-tetrahydro-1,1′-Spirobi[1H-indene]-7,7′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1258327-01-3.gif)
![CAS 1258327-02-4 (1S)-2,2′,3,3′-tetrahydro-6,6′-di-1-naphthalenyl-1,1′-Spirobi[1H-indene]-7,7′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1258327-02-4.gif)
![CAS 1258327-03-5 (11aS)-5-hydroxy-10,11,12,13-tetrahydro-5-oxide-Diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1258327-03-5.gif)
![CAS 1258327-04-6 (11aS)-10,11,12,13-Tetrahydro-5-hydroxy-3,7-diphenyl-diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-5-oxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1258327-04-6.gif)
![CAS 1258327-05-7 (11aS)-10,11,12,13-Tetrahydro-5-hydroxy-3,7-bis(4-chlorophenyl)-diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-5-oxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1258327-05-7.gif)
![CAS 1258327-06-8 (11aS)-10,11,12,13-Tetrahydro-5-hydroxy-3,7-bis([1,1′-biphenyl]-4-yl)-diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-5-oxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1258327-06-8.gif)