![CAS 1453799-69-3 2-Bromo-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1453799-69-3.gif)
CAS RN: 1453799-69-3
2-Bromo-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-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.20251206 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-056716
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1453799-69-3 / 2-bromo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
Basic Information
CAS
1453799-69-3
Multi CAS
No
Molecular Formula
C7H7BrN2O
Molecular Weight
215.050000
Exact Mass
213.974180
SMILES
C1CNC(=O)C2=C1NC(=C2)Br
InChI
InChI=1S/C7H7BrN2O/c8-6-3-4-5(10-6)1-2-9-7(4)11/h3,10H,1-2H2,(H,9,11)
InChIKey
AVBFQTFAVOBREP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.29
H-bond acceptors
1
H-bond donors
2
Molar refractivity
44.53
TPSA
44.89
LogP / Solubility
WLOGP
1.06
MLOGP
0.94
XLogP3
1.1
Consensus LogP
1.03
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.94
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)
-3.28
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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