CAS RN: 1352398-35-6
5-BroMo-4-fluoro-2-Methyl-7-azaindole
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.20250531 | 250mg / 500mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1352398-35-6
- Purity/Analytical Methods: >99.0%
1352398-35-6 / 5-bromo-4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine
Basic Information
CAS
1352398-35-6
Multi CAS
No
Molecular Formula
C8H6BrFN2
Molecular Weight
229.050000
Exact Mass
227.969840
SMILES
CC1=CC2=C(C(=CN=C2N1)Br)F
InChI
InChI=1S/C8H6BrFN2/c1-4-2-5-7(10)6(9)3-11-8(5)12-4/h2-3H,1H3,(H,11,12)
InChIKey
DYLJFPFYBJSQQZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.49
TPSA
28.68
LogP / Solubility
WLOGP
2.77
MLOGP
2.44
XLogP3
2.5
Consensus LogP
2.57
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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