![CAS 126052-29-7 2-PHENYL-5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/126052-29-7.gif)
CAS RN: 126052-29-7
2-PHENYL-5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]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.20251021 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS126052-29-7
- Purity/Analytical Methods: >99.0%
126052-29-7 / 2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
Basic Information
CAS
126052-29-7
Multi CAS
No
Molecular Formula
C12H13N3
Molecular Weight
199.250000
Exact Mass
199.110947
SMILES
C1CN2C=C(N=C2CN1)C3=CC=CC=C3
InChI
InChI=1S/C12H13N3/c1-2-4-10(5-3-1)11-9-15-7-6-13-8-12(15)14-11/h1-5,9,13H,6-8H2
InChIKey
NKCGDURSSXFSLH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.37
TPSA
29.85
LogP / Solubility
WLOGP
1.65
MLOGP
1.45
XLogP3
0.8
Consensus LogP
1.3
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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