CAS RN: 1448536-57-9

METHYL IMIDAZO[1,2-A]PYRAZINE-6-CARBOXYLATE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250624 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1448536-57-9
  • Purity/Analytical Methods: >99.0%
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1448536-57-9 / methyl imidazo[1,2-a]pyrazine-6-carboxylate

Standard CAS: 1448536-57-9 Multi CAS: No

Basic Information

CAS
1448536-57-9
Multi CAS
No
Molecular Formula
C8H7N3O2
Molecular Weight
177.160000
Exact Mass
177.053826
SMILES
COC(=O)C1=CN2C=CN=C2C=N1
InChI
InChI=1S/C8H7N3O2/c1-13-8(12)6-5-11-3-2-9-7(11)4-10-6/h2-5H,1H3
InChIKey
KYTFUQMKAMGGQM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
44.33
TPSA
56.49

LogP / Solubility

WLOGP
0.52
MLOGP
0.45
XLogP3
0.9
Consensus LogP
0.62
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
Class (SILICOS-IT)
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)
-3.43

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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