![CAS 1429933-33-4 2-bromo-7-iodo-9,9′-spirobi[fluorene] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1429933-33-4.gif)
CAS RN: 1429933-33-4
2-bromo-7-iodo-9,9′-spirobi[fluorene]
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251016 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1429933-33-4
- Purity/Analytical Methods: >99.0%
1429933-33-4 / 2'-bromo-7'-iodo-9,9'-spirobi[fluorene]
Basic Information
CAS
1429933-33-4
Multi CAS
No
Molecular Formula
C25H14BrI
Molecular Weight
521.200000
Exact Mass
519.932360
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=C(C=CC(=C5)Br)C6=C4C=C(C=C6)I
InChI
InChI=1S/C25H14BrI/c26-15-9-11-19-20-12-10-16(27)14-24(20)25(23(19)13-15)21-7-3-1-5-17(21)18-6-2-4-8-22(18)25/h1-14H
InChIKey
OKDQJGCCMJHSQF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
24
Fraction Csp3
0.04
Molar refractivity
123.16
TPSA
0.0000
LogP / Solubility
WLOGP
7.4
MLOGP
6.55
XLogP3
7.7
Consensus LogP
7.22
Log S (ESOL)
-8.39
Class (ESOL)
Insoluble
Log S (Ali)
-9.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.19
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)
-0.65
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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