CAS RN: 1190310-94-1
5-Chloro-4-azaindole-3-carbaldehyde
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.20250601 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1190310-94-1
- Purity/Analytical Methods: >99.0%
1190310-94-1 / 5-chloro-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
5-chloro-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde | 1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde, 5-chloro- | MFCD12962969
Basic Information
CAS
1190310-94-1
Multi CAS
No
Molecular Formula
C8H5ClN2O
Molecular Weight
180.590000
Exact Mass
180.009041
SMILES
C1=CC(=NC2=C1NC=C2C=O)Cl
InChI
InChI=1S/C8H5ClN2O/c9-7-2-1-6-8(11-7)5(4-12)3-10-6/h1-4,10H
InChIKey
SOPYIEOXMFLCJX-UHFFFAOYSA-N
Synonyms
5-chloro-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde, 5-chloro-
MFCD12962969
5-chloranyl-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
SCHEMBL23295564
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
46.49
TPSA
45.75
LogP / Solubility
WLOGP
2.03
MLOGP
1.78
XLogP3
1.5
Consensus LogP
1.77
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1190311-44-4 6-(Trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190311-44-4.gif)
