![CAS 1190322-81-6 6-Bromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1190322-81-6.png)
CAS RN: 1190322-81-6
6-Bromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-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.20250117 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-019464
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 |
1190322-81-6 / 6-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
6-bromo-1h-pyrrolo[2,3-b]pyridin-2(3h)-one | 6-BROMO-1H,2H,3H-PYRROLO[2,3-B]PYRIDIN-2-ONE | MFCD12962926
Basic Information
CAS
1190322-81-6
Multi CAS
No
Molecular Formula
C7H5BrN2O
Molecular Weight
213.030000
Exact Mass
211.958530
SMILES
C1C2=C(NC1=O)N=C(C=C2)Br
InChI
InChI=1S/C7H5BrN2O/c8-5-2-1-4-3-6(11)10-7(4)9-5/h1-2H,3H2,(H,9,10,11)
InChIKey
VIZFVDGBSWMXSW-UHFFFAOYSA-N
Synonyms
6-bromo-1h-pyrrolo[2,3-b]pyridin-2(3h)-one
6-BROMO-1H,2H,3H-PYRROLO[2,3-B]PYRIDIN-2-ONE
MFCD12962926
2H-Pyrrolo[2,3-b]pyridin-2-one, 6-bromo-1,3-dihydro-
6-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
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
44.27
TPSA
41.99
LogP / Solubility
WLOGP
1.34
MLOGP
1.18
XLogP3
1.1
Consensus LogP
1.21
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-3.07
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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