![CAS 1250996-97-4 ethyl 6-chloroiMidazo[1,2-a]pyrazine-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1250996-97-4.gif)
CAS RN: 1250996-97-4
ethyl 6-chloroiMidazo[1,2-a]pyrazine-3-carboxylate
- Product code: SSC-029633
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.1g, 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1250996-97-4 / ethyl 6-chloroimidazo[1,2-a]pyrazine-3-carboxylate
Basic Information
CAS
1250996-97-4
Multi CAS
No
Molecular Formula
C9H8ClN3O2
Molecular Weight
225.630000
Exact Mass
225.030504
SMILES
CCOC(=O)C1=CN=C2N1C=C(N=C2)Cl
InChI
InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-3-12-8-4-11-7(10)5-13(6)8/h3-5H,2H2,1H3
InChIKey
CNONMADHJQAEAI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
53.95
TPSA
56.49
LogP / Solubility
WLOGP
1.56
MLOGP
1.38
XLogP3
2.2
Consensus LogP
1.71
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99
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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