![CAS 1553646-86-8 6-Chloro-2-methylimidazo[1,2-a]pyrazine-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1553646-86-8.gif)
CAS RN: 1553646-86-8
6-Chloro-2-methylimidazo[1,2-a]pyrazine-3-carboxylic acid
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.20260618 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1553646-86-8
- Purity/Analytical Methods: >99.0%
1553646-86-8 / 6-chloro-2-methylimidazo[1,2-a]pyrazine-3-carboxylic acid
Basic Information
CAS
1553646-86-8
Multi CAS
No
Molecular Formula
C8H6ClN3O2
Molecular Weight
211.600000
Exact Mass
211.014854
SMILES
CC1=C(N2C=C(N=CC2=N1)Cl)C(=O)O
InChI
InChI=1S/C8H6ClN3O2/c1-4-7(8(13)14)12-3-5(9)10-2-6(12)11-4/h2-3H,1H3,(H,13,14)
InChIKey
HWKCIWQHWIFCIG-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
4
H-bond donors
1
Molar refractivity
49.69
TPSA
67.49
LogP / Solubility
WLOGP
1.39
MLOGP
1.22
XLogP3
1.9
Consensus LogP
1.5
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-3.02
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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