![CAS 161563-35-5 2H-Pyrrolo[2,3-c]pyridin-2-one,1,3-dihydro-1-methyl-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/161563-35-5.gif)
CAS RN: 161563-35-5
2H-Pyrrolo[2,3-c]pyridin-2-one,1,3-dihydro-1-methyl-(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.20250911 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS161563-35-5
- Purity/Analytical Methods: >99.0%
161563-35-5 / 1-methyl-3H-pyrrolo[2,3-c]pyridin-2-one
Basic Information
CAS
161563-35-5
Multi CAS
No
Molecular Formula
C8H8N2O
Molecular Weight
148.160000
Exact Mass
148.063663
SMILES
CN1C(=O)CC2=C1C=NC=C2
InChI
InChI=1S/C8H8N2O/c1-10-7-5-9-3-2-6(7)4-8(10)11/h2-3,5H,4H2,1H3
InChIKey
SAEFRGVZOLPPSQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
41.35
TPSA
33.2
LogP / Solubility
WLOGP
0.6
MLOGP
0.52
XLogP3
-0.1
Consensus LogP
0.34
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
Class (SILICOS-IT)
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)
-3.2
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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