![CAS 2306263-86-3 4-chloro-5-nitro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2306263-86-3.gif)
CAS RN: 2306263-86-3
4-chloro-5-nitro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
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.20250129 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-112234
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 | Hong Kong | Inquiry |
2306263-86-3 / 4-chloro-5-nitro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
Basic Information
CAS
2306263-86-3
Multi CAS
No
Molecular Formula
C7H4ClN3O3
Molecular Weight
213.580000
Exact Mass
212.994119
SMILES
C1C2=C(C(=CN=C2NC1=O)[N+](=O)[O-])Cl
InChI
InChI=1S/C7H4ClN3O3/c8-6-3-1-5(12)10-7(3)9-2-4(6)11(13)14/h2H,1H2,(H,9,10,12)
InChIKey
XITFUUJYRJBLCT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.24
TPSA
85.13
LogP / Solubility
WLOGP
1.14
MLOGP
1
XLogP3
0.5
Consensus LogP
0.88
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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