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CAS 28217-95-0 Pyrazine, 2-(phenylMethyl)- molecular structure lightbox
CAS RN: 28217-95-0

Pyrazine, 2-(phenylMethyl)-

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250511 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
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Batchno.20260102 100mg In stock Shanghai Inquiry
Batchno.20250719 1g In stock Shanghai Inquiry
Batchno.20250605 250mg In stock Shanghai Inquiry
Batchno.20251227 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS28217-95-0
  • Purity/Analytical Methods: >99.0%
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28217-95-0 / 2-benzylpyrazine

Standard CAS: 28217-95-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28217-95-0
Multi CAS
No
Molecular Formula
C11H10N2
Molecular Weight
170.210000
Exact Mass
170.084398
SMILES
C1=CC=C(C=C1)CC2=NC=CN=C2
InChI
InChI=1S/C11H10N2/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-7,9H,8H2
InChIKey
QGSOPZAYKHDVDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
51.28
TPSA
25.78

LogP / Solubility

WLOGP
2.07
MLOGP
1.82
XLogP3
1.8
Consensus LogP
1.9
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-2.29

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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