![CAS 869371-00-6 2H-Pyrrolo[2,3-b]pyridin-2-one, 5-aMino-1,3-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/869371-00-6.gif)
CAS RN: 869371-00-6
2H-Pyrrolo[2,3-b]pyridin-2-one, 5-aMino-1,3-dihydro-
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.20260607 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS869371-00-6
- Purity/Analytical Methods: >99.0%
869371-00-6 / 5-amino-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
Basic Information
CAS
869371-00-6
Multi CAS
No
Molecular Formula
C7H7N3O
Molecular Weight
149.150000
Exact Mass
149.058912
InChI
InChI=1S/C7H7N3O/c8-5-1-4-2-6(11)10-7(4)9-3-5/h1,3H,2,8H2,(H,9,10,11)
InChIKey
RZSFQRRKJVNHDK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.98
TPSA
68.01
LogP / Solubility
WLOGP
0.16
MLOGP
0.13
XLogP3
-0.6
Consensus LogP
-0.1
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.76
Class (SILICOS-IT)
Very 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)
-3.52
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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