![CAS 1660116-54-0 8-Bromo-imidazo[1,2-a]pyrazine-6-carboxylic acid methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1660116-54-0.gif)
CAS RN: 1660116-54-0
8-Bromo-imidazo[1,2-a]pyrazine-6-carboxylic acid methyl ester
- Product code: SSC-072491
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 |
1660116-54-0 / methyl 8-bromoimidazo[1,2-a]pyrazine-6-carboxylate
Basic Information
CAS
1660116-54-0
Multi CAS
No
Molecular Formula
C8H6BrN3O2
Molecular Weight
256.060000
Exact Mass
254.964340
SMILES
COC(=O)C1=CN2C=CN=C2C(=N1)Br
InChI
InChI=1S/C8H6BrN3O2/c1-14-8(13)5-4-12-3-2-10-7(12)6(9)11-5/h2-4H,1H3
InChIKey
NZEVGXNKWJPIHR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
52.03
TPSA
56.49
LogP / Solubility
WLOGP
1.28
MLOGP
1.13
XLogP3
1.9
Consensus LogP
1.44
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-3.37
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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