![CAS 1956321-69-9 6-Bromo-1-Methyl-1H-Imidazo[4,5-B]Pyrazine Formic Acid(WXC02801) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1956321-69-9.gif)
CAS RN: 1956321-69-9
6-Bromo-1-Methyl-1H-Imidazo[4,5-B]Pyrazine Formic Acid(WXC02801)
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.20260320 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1956321-69-9
- Purity/Analytical Methods: >99.0%
1956321-69-9 / 5-bromo-3-methylimidazo[4,5-b]pyrazine;formic acid
Basic Information
CAS
1956321-69-9
Multi CAS
No
Molecular Formula
C7H7BrN4O2
Molecular Weight
259.060000
Exact Mass
257.975240
SMILES
CN1C=NC2=NC=C(N=C21)Br.C(=O)O
InChI
InChI=1S/C6H5BrN4.CH2O2/c1-11-3-9-5-6(11)10-4(7)2-8-5;2-1-3/h2-3H,1H3;1H,(H,2,3)
InChIKey
PRHIRHCQSMUSFZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
5
H-bond donors
1
Molar refractivity
52.7
TPSA
80.9
LogP / Solubility
WLOGP
0.83
MLOGP
0.73
XLogP3
0.83
Consensus LogP
0.8
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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