![CAS 23612-49-9 2-Ethyl-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/23612-49-9.gif)
CAS RN: 23612-49-9
2-Ethyl-1H-pyrrolo[2,3-b]pyridine
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.20250717 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS23612-49-9
- Purity/Analytical Methods: >99.0%
23612-49-9 / 2-ethyl-1H-pyrrolo[2,3-b]pyridine
Basic Information
CAS
23612-49-9
Multi CAS
No
Molecular Formula
C9H10N2
Molecular Weight
146.190000
Exact Mass
146.084398
SMILES
CCC1=CC2=C(N1)N=CC=C2
InChI
InChI=1S/C9H10N2/c1-2-8-6-7-4-3-5-10-9(7)11-8/h3-6H,2H2,1H3,(H,10,11)
InChIKey
NPTVWPJFZZCZOI-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
1
H-bond donors
1
Molar refractivity
45.47
TPSA
28.68
LogP / Solubility
WLOGP
2.13
MLOGP
1.86
XLogP3
2.1
Consensus LogP
2.03
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
