![CAS 159-49-9 9,9′-Spirobi[9H-xanthene] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/159-49-9.gif)
CAS RN: 159-49-9
9,9′-Spirobi[9H-xanthene]
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.20260424 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS159-49-9
- Purity/Analytical Methods: >99.0%
159-49-9 / 9,9'-spirobi[xanthene]
Basic Information
CAS
159-49-9
Multi CAS
No
Molecular Formula
C25H16O2
Molecular Weight
348.400000
Exact Mass
348.115030
SMILES
C1=CC=C2C(=C1)C3(C4=CC=CC=C4O2)C5=CC=CC=C5OC6=CC=CC=C36
InChI
InChI=1S/C25H16O2/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)26-21)19-11-3-7-15-23(19)27-24-16-8-4-12-20(24)25/h1-16H
InChIKey
VKKRGFDLDAZZEW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
24
Fraction Csp3
0.04
H-bond acceptors
2
Molar refractivity
104.9
TPSA
18.46
LogP / Solubility
WLOGP
6.28
MLOGP
5.54
XLogP3
6.2
Consensus LogP
6.01
Log S (ESOL)
-6.61
Class (ESOL)
Insoluble
Log S (Ali)
-6.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.14
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
No
Log Kp (skin permeation)
-0.39
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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![CAS 159-62-6 Spiro[fluorene-9,9′-xanthene] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/159-62-6.gif)
