CAS RN: 89284-25-3

3-aMino-5-chloropyrazine-2-carbaldehyde

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Batchno.20250315 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS89284-25-3
  • Purity/Analytical Methods: >99.0%
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89284-25-3 / 3-amino-5-chloropyrazine-2-carbaldehyde

Standard CAS: 89284-25-3 Multi CAS: No

Basic Information

CAS
89284-25-3
Multi CAS
No
Molecular Formula
C5H4CLN3O
Molecular Weight
157.560000
Exact Mass
157.004290
InChI
InChI=1S/C5H4ClN3O/c6-4-1-8-3(2-10)5(7)9-4/h1-2H,(H2,7,9)
InChIKey
JZAIIAXTVGCHJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
36.84
TPSA
68.87

LogP / Solubility

WLOGP
0.52
MLOGP
0.46
XLogP3
0.7
Consensus LogP
0.56
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
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)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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