![CAS 2306369-98-0 2,3-Dihydro-1H-pyrrolo[2,3-c]pyridin-5(6H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2306369-98-0.gif)
CAS RN: 2306369-98-0
2,3-Dihydro-1H-pyrrolo[2,3-c]pyridin-5(6H)-one
- Product code: SSC-112395
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2306369-98-0 / 1,2,3,6-tetrahydropyrrolo[2,3-c]pyridin-5-one
Basic Information
CAS
2306369-98-0
Multi CAS
No
Molecular Formula
C7H8N2O
Molecular Weight
136.150000
Exact Mass
136.063663
SMILES
C1CNC2=CNC(=O)C=C21
InChI
InChI=1S/C7H8N2O/c10-7-3-5-1-2-8-6(5)4-9-7/h3-4,8H,1-2H2,(H,9,10)
InChIKey
WYCCNPHNTWRJEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.26
TPSA
44.89
LogP / Solubility
WLOGP
0.34
MLOGP
0.29
XLogP3
-0.5
Consensus LogP
0.04
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.83
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)
-3.31
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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