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CAS 1276056-84-8 2-a]pyrazine molecular structure lightbox
CAS RN: 1276056-84-8

2-a]pyrazine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250705 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1276056-84-8
  • Purity/Analytical Methods: >99.0%
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1276056-84-8 / 3-bromo-6-methylimidazo[1,2-a]pyrazine

Standard CAS: 1276056-84-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1276056-84-8
Multi CAS
No
Molecular Formula
C7H6BrN3
Molecular Weight
212.050000
Exact Mass
210.974510
SMILES
CC1=CN2C(=CN=C2C=N1)Br
InChI
InChI=1S/C7H6BrN3/c1-5-4-11-6(8)2-10-7(11)3-9-5/h2-4H,1H3
InChIKey
ZSUZBYIIQKISEK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
45.42
TPSA
30.19

LogP / Solubility

WLOGP
1.8
MLOGP
1.59
XLogP3
2.1
Consensus LogP
1.83
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.74

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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