![CAS 1935541-85-7 4-bromo-1-methyl-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1935541-85-7.gif)
CAS RN: 1935541-85-7
4-bromo-1-methyl-1,3-dihydro-2H-pyrrolo[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.20250801 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-091174
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 | Beijing | Inquiry |
1935541-85-7 / 4-bromo-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one
Basic Information
CAS
1935541-85-7
Multi CAS
No
Molecular Formula
C8H7BrN2O
Molecular Weight
227.060000
Exact Mass
225.974180
SMILES
CN1C(=O)CC2=C(C=CN=C21)Br
InChI
InChI=1S/C8H7BrN2O/c1-11-7(12)4-5-6(9)2-3-10-8(5)11/h2-3H,4H2,1H3
InChIKey
ISOCZSVWMIMQSR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
49.05
TPSA
33.2
LogP / Solubility
WLOGP
1.36
MLOGP
1.2
XLogP3
0.9
Consensus LogP
1.15
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
Class (SILICOS-IT)
Moderately 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)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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