![CAS 5654-95-5 1H-PYRROLO[2,3-B]PYRIDINE-2,3-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5654-95-5.gif)
CAS RN: 5654-95-5
1H-PYRROLO[2,3-B]PYRIDINE-2,3-DIONE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-164542
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
5654-95-5 / 1H-pyrrolo[2,3-b]pyridine-2,3-dione
Basic Information
CAS
5654-95-5
Multi CAS
No
Molecular Formula
C7H4N2O2
Molecular Weight
148.120000
Exact Mass
148.027277
InChI
InChI=1S/C7H4N2O2/c10-5-4-2-1-3-8-6(4)9-7(5)11/h1-3H,(H,8,9,10,11)
InChIKey
WIZIBEDAPVILNL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.2
TPSA
59.06
LogP / Solubility
WLOGP
0.22
MLOGP
0.18
Consensus LogP
0.13
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
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)
-3.47
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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