![CAS 1011711-57-1 4-Ethoxy-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1011711-57-1.gif)
CAS RN: 1011711-57-1
4-Ethoxy-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.20250724 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1011711-57-1
- Purity/Analytical Methods: >99.0%
1011711-57-1 / 4-ethoxy-1H-pyrrolo[2,3-b]pyridine
4-ethoxy-1H-pyrrolo[2,3-b]pyridine | 1H-Pyrrolo[2,3-b]pyridine, 4-ethoxy- | MFCD12924343
Basic Information
CAS
1011711-57-1
Multi CAS
No
Molecular Formula
C9H10N2O
Molecular Weight
162.190000
Exact Mass
162.079313
SMILES
CCOC1=C2C=CNC2=NC=C1
InChI
InChI=1S/C9H10N2O/c1-2-12-8-4-6-11-9-7(8)3-5-10-9/h3-6H,2H2,1H3,(H,10,11)
InChIKey
KRYAWEHDTJSEAG-UHFFFAOYSA-N
Synonyms
4-ethoxy-1H-pyrrolo[2,3-b]pyridine
1H-Pyrrolo[2,3-b]pyridine, 4-ethoxy-
MFCD12924343
4-ethoxy-7-azaindole
SS-3279
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.26
TPSA
37.91
LogP / Solubility
WLOGP
1.96
MLOGP
1.72
XLogP3
1.6
Consensus LogP
1.76
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-2.32
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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