![CAS 1361305-36-3 9,9′-Spirobi[9H-fluorene], 2-bromo-7-phenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1361305-36-3.gif)
CAS RN: 1361305-36-3
9,9′-Spirobi[9H-fluorene], 2-bromo-7-phenyl-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260627 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS1361305-36-3
- Purity/Analytical Methods: >99.0%
1361305-36-3 / 2'-bromo-7'-phenyl-9,9'-spirobi[fluorene]
Basic Information
CAS
1361305-36-3
Multi CAS
No
Molecular Formula
C31H19Br
Molecular Weight
471.400000
Exact Mass
470.067010
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=C(C35C6=CC=CC=C6C7=CC=CC=C57)C=C(C=C4)Br
InChI
InChI=1S/C31H19Br/c32-22-15-17-26-25-16-14-21(20-8-2-1-3-9-20)18-29(25)31(30(26)19-22)27-12-6-4-10-23(27)24-11-5-7-13-28(24)31/h1-19H
InChIKey
OEOURNPHMAJKOF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
30
Fraction Csp3
0.03
Rotatable bonds
1
Molar refractivity
135.88
TPSA
0.0000
LogP / Solubility
WLOGP
8.46
MLOGP
7.48
XLogP3
8.7
Consensus LogP
8.21
Log S (ESOL)
-8.72
Class (ESOL)
Insoluble
Log S (Ali)
-9.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.87
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)
0.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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