![CAS 346599-62-0 4-chloro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/346599-62-0.gif)
CAS RN: 346599-62-0
4-chloro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250226 | 1g | In stock | Shanghai | Inquiry |
- Product code: SSC-141207
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 | Hong Kong | Inquiry |
346599-62-0 / 4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
Basic Information
CAS
346599-62-0
Multi CAS
No
Molecular Formula
C7H5CLN2O
Molecular Weight
168.580000
Exact Mass
168.009041
InChI
InChI=1S/C7H5ClN2O/c8-5-1-2-9-7-4(5)3-6(11)10-7/h1-2H,3H2,(H,9,10,11)
InChIKey
MUJHLWISGAWFPZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.58
TPSA
41.99
LogP / Solubility
WLOGP
1.23
MLOGP
1.08
XLogP3
0.7
Consensus LogP
1
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-2.88
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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