![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 RN: 1258327-02-4
(1S)-2,2′,3,3′-tetrahydro-6,6′-di-1-naphthalenyl-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.20260309 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1258327-02-4
- Purity/Analytical Methods: >99.0%
1258327-02-4 / 5,5'-dinaphthalen-1-yl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
Basic Information
CAS
1258327-02-4
Multi CAS
No
Molecular Formula
C37H28O2
Molecular Weight
504.600000
Exact Mass
504.208930
SMILES
C1CC2(CCC3=C2C(=C(C=C3)C4=CC=CC5=CC=CC=C54)O)C6=C1C=CC(=C6O)C7=CC=CC8=CC=CC=C87
InChI
InChI=1S/C37H28O2/c38-35-31(29-13-5-9-23-7-1-3-11-27(23)29)17-15-25-19-21-37(33(25)35)22-20-26-16-18-32(36(39)34(26)37)30-14-6-10-24-8-2-4-12-28(24)30/h1-18,38-39H,19-22H2
InChIKey
MNBIPPRIDBTOHG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
32
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
159.52
TPSA
40.46
LogP / Solubility
WLOGP
8.92
MLOGP
7.88
XLogP3
9.8
Consensus LogP
8.87
Log S (ESOL)
-9.06
Class (ESOL)
Insoluble
Log S (Ali)
-10.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.58
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)
0.53
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5
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