CAS RN: 1000341-75-2
6-BROMO-5-AZAINDOLE-3-CARBOALDEHYDE
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.20251012 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1000341-75-2
- Purity/Analytical Methods: >99.0%
1000341-75-2 / 6-bromo-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde
6-bromo-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde | 1000341-75-2 | MFCD09749988
Basic Information
CAS
1000341-75-2
Multi CAS
No
Molecular Formula
C8H5BrN2O
Molecular Weight
225.040000
Exact Mass
223.958530
SMILES
C1=C2C(=CN=C1Br)C(=CN2)C=O
InChI
InChI=1S/C8H5BrN2O/c9-8-1-7-6(3-11-8)5(4-12)2-10-7/h1-4,10H
InChIKey
VOZAJYPAYFEWCN-UHFFFAOYSA-N
Synonyms
6-bromo-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde
1000341-75-2
MFCD09749988
6-Bromo-5-azaindole-3-carboaldehyde
1H-Pyrrolo[3,2-c]pyridine-3-carboxaldehyde, 6-bromo-
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.18
TPSA
45.75
LogP / Solubility
WLOGP
2.14
MLOGP
1.88
XLogP3
1.5
Consensus LogP
1.84
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-2.57
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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