![CAS 1227075-76-4 7-bromo-1,2,3,4-tetrahydro-6-methylpyrido[2,3-b]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1227075-76-4.gif)
CAS RN: 1227075-76-4
7-bromo-1,2,3,4-tetrahydro-6-methylpyrido[2,3-b]pyrazine
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.20251118 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-025848
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 | Shanghai | Inquiry |
1227075-76-4 / 7-bromo-6-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
Basic Information
CAS
1227075-76-4
Multi CAS
No
Molecular Formula
C8H10BrN3
Molecular Weight
228.090000
Exact Mass
227.005810
SMILES
CC1=C(C=C2C(=N1)NCCN2)Br
InChI
InChI=1S/C8H10BrN3/c1-5-6(9)4-7-8(12-5)11-3-2-10-7/h4,10H,2-3H2,1H3,(H,11,12)
InChIKey
XWWXJBAANRSQOC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
3
H-bond donors
2
Molar refractivity
53.65
TPSA
36.95
LogP / Solubility
WLOGP
1.99
MLOGP
1.75
XLogP3
2
Consensus LogP
1.91
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-2.7
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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