CAS RN: 1698027-85-8
6-bromo-5,7-difluoroindoline-2,3-dione
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.20250330 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1698027-85-8
- Purity/Analytical Methods: >99.0%
1698027-85-8 / 6-bromo-5,7-difluoro-1H-indole-2,3-dione
Basic Information
CAS
1698027-85-8
Multi CAS
No
Molecular Formula
C8H2BrF2NO2
Molecular Weight
262.010000
Exact Mass
260.923700
SMILES
C1=C2C(=C(C(=C1F)Br)F)NC(=O)C2=O
InChI
InChI=1S/C8H2BrF2NO2/c9-4-3(10)1-2-6(5(4)11)12-8(14)7(2)13/h1H,(H,12,13,14)
InChIKey
FGEFXZZQCPDFRF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.02
TPSA
46.17
LogP / Solubility
WLOGP
1.86
MLOGP
1.65
XLogP3
1.6
Consensus LogP
1.7
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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