CAS RN: 1000340-28-2
3-BROMO-6-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.20250107 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1000340-28-2
- Purity/Analytical Methods: >99.0%
1000340-28-2 / 3-bromo-6-methyl-1H-pyrrolo[2,3-b]pyridine
1000340-28-2 | 3-Bromo-6-methyl-1H-pyrrolo[2,3-b]pyridine | 3-Bromo-6-methyl-7-azaindole
Basic Information
CAS
1000340-28-2
Multi CAS
Yes
Molecular Formula
C8H7BrN2
Molecular Weight
211.060000
Exact Mass
209.979260
SMILES
CC1=NC2=C(C=C1)C(=CN2)Br
InChI
InChI=1S/C8H7BrN2/c1-5-2-3-6-7(9)4-10-8(6)11-5/h2-4H,1H3,(H,10,11)
InChIKey
UUTGWFNTKXWYKP-UHFFFAOYSA-N
Synonyms
1000340-28-2
3-Bromo-6-methyl-1H-pyrrolo[2,3-b]pyridine
3-Bromo-6-methyl-7-azaindole
MFCD09880116
1H-Pyrrolo[2,3-b]pyridine, 3-bromo-6-methyl-
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.53
TPSA
28.68
LogP / Solubility
WLOGP
2.63
MLOGP
2.32
XLogP3
2.4
Consensus LogP
2.45
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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)
-2.14
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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