![CAS 126344-09-0 1H-Pyrrolo[2,3-b]pyridine,1-ethyl-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/126344-09-0.gif)
CAS RN: 126344-09-0
1H-Pyrrolo[2,3-b]pyridine,1-ethyl-(9CI)
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.20260525 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS126344-09-0
- Purity/Analytical Methods: >99.0%
126344-09-0 / 1-ethylpyrrolo[2,3-b]pyridine
Basic Information
CAS
126344-09-0
Multi CAS
No
Molecular Formula
C9H10N2
Molecular Weight
146.190000
Exact Mass
146.084398
SMILES
CCN1C=CC2=C1N=CC=C2
InChI
InChI=1S/C9H10N2/c1-2-11-7-5-8-4-3-6-10-9(8)11/h3-7H,2H2,1H3
InChIKey
WRYJRJSQPWZHHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
45.41
TPSA
17.82
LogP / Solubility
WLOGP
2.06
MLOGP
1.8
XLogP3
1.6
Consensus LogP
1.82
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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