![CAS 1628864-79-8 4-bromo-N-ethyl-6,7-dihydro-6-methyl-7-oxo-1H-Pyrrolo[2,3-c]pyridine-2-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1628864-79-8.gif)
CAS RN: 1628864-79-8
4-bromo-N-ethyl-6,7-dihydro-6-methyl-7-oxo-1H-Pyrrolo[2,3-c]pyridine-2-carboxamide
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.20251202 | 100mg / 250mg / 500mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-070394
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, 1g, 5g
- Available purity: ＞97%
- 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.
1628864-79-8 / 4-bromo-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
Basic Information
CAS
1628864-79-8
Multi CAS
No
Molecular Formula
C11H12BrN3O2
Molecular Weight
298.140000
Exact Mass
297.011290
SMILES
CCNC(=O)C1=CC2=C(N1)C(=O)N(C=C2Br)C
InChI
InChI=1S/C11H12BrN3O2/c1-3-13-10(16)8-4-6-7(12)5-15(2)11(17)9(6)14-8/h4-5,14H,3H2,1-2H3,(H,13,16)
InChIKey
VOXWCFFEHPYSRE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
69.25
TPSA
66.89
LogP / Solubility
WLOGP
1.38
MLOGP
1.23
XLogP3
1
Consensus LogP
1.2
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.98
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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