![CAS 1368111-06-1 1-Methyl-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1368111-06-1.gif)
CAS RN: 1368111-06-1
1-Methyl-1H-pyrrolo[2,3-b]pyridine-2-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.20250518 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1368111-06-1
- Purity/Analytical Methods: >99.0%
1368111-06-1 / 1-methylpyrrolo[2,3-b]pyridine-2-carbaldehyde
Basic Information
CAS
1368111-06-1
Multi CAS
No
Molecular Formula
C9H8N2O
Molecular Weight
160.170000
Exact Mass
160.063663
SMILES
CN1C(=CC2=C1N=CC=C2)C=O
InChI
InChI=1S/C9H8N2O/c1-11-8(6-12)5-7-3-2-4-10-9(7)11/h2-6H,1H3
InChIKey
YRFPWXFKMTZSKS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
46.1
TPSA
34.89
LogP / Solubility
WLOGP
1.39
MLOGP
1.21
XLogP3
1.1
Consensus LogP
1.23
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71
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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