CAS RN: 155819-07-1
1-Acetyl-3-forMyl-7-azaindole
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.20250805 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS155819-07-1
- Purity/Analytical Methods: >99.0%
155819-07-1 / 1-acetylpyrrolo[2,3-b]pyridine-3-carbaldehyde
Basic Information
CAS
155819-07-1
Multi CAS
No
Molecular Formula
C10H8N2O2
Molecular Weight
188.180000
Exact Mass
188.058578
SMILES
CC(=O)N1C=C(C2=C1N=CC=C2)C=O
InChI
InChI=1S/C10H8N2O2/c1-7(14)12-5-8(6-13)9-3-2-4-11-10(9)12/h2-6H,1H3
InChIKey
LWAZRVDLUPXTIJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
51.42
TPSA
51.96
LogP / Solubility
WLOGP
1.51
MLOGP
1.33
XLogP3
0.6
Consensus LogP
1.15
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-2.8
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 155831-90-6 2′-O-T-BUTYLDIMETHYLSILYL-3′-O-[(DIISOPROPYLAMINO)(2-CYANOETHOXY)PHOSPHINO]-5′-O-(4,4′-DIMETHOXYTRITYL)-2(1H)-PYRIMIDINONE-1-BETA-D-RIBOSIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/155831-90-6.gif)