CAS RN: 2254168-91-5
1H-Indole, 4-bromo-7-chloro-5-fluoro-
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.20250204 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS2254168-91-5
- Purity/Analytical Methods: >99.0%
2254168-91-5 / 4-bromo-7-chloro-5-fluoro-1H-indole
Basic Information
CAS
2254168-91-5
Multi CAS
No
Molecular Formula
C8H4BrClFN
Molecular Weight
248.480000
Exact Mass
246.919970
SMILES
C1=CNC2=C(C=C(C(=C21)Br)F)Cl
InChI
InChI=1S/C8H4BrClFN/c9-7-4-1-2-12-8(4)5(10)3-6(7)11/h1-3,12H
InChIKey
JSRNNMJLUUHMNE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.97
TPSA
15.79
LogP / Solubility
WLOGP
3.72
MLOGP
3.28
XLogP3
3.5
Consensus LogP
3.5
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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