CAS RN: 1260385-91-8
4-BroMo-3-fluoro-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.20250329 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1260385-91-8
- Purity/Analytical Methods: >99.0%
1260385-91-8 / 4-bromo-3-fluoro-1H-pyrrolo[2,3-b]pyridine
Basic Information
CAS
1260385-91-8
Multi CAS
No
Molecular Formula
C7H4BrFN2
Molecular Weight
215.020000
Exact Mass
213.954190
SMILES
C1=CN=C2C(=C1Br)C(=CN2)F
InChI
InChI=1S/C7H4BrFN2/c8-4-1-2-10-7-6(4)5(9)3-11-7/h1-3H,(H,10,11)
InChIKey
QMCXMROKMHVDRC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.75
TPSA
28.68
LogP / Solubility
WLOGP
2.46
MLOGP
2.17
XLogP3
2.1
Consensus LogP
2.24
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
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)
-2.28
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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