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CAS 56421-72-8 2-THIOPHEN-2-YL-PYRAZINE molecular structure lightbox
CAS RN: 56421-72-8

2-THIOPHEN-2-YL-PYRAZINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250915 20mg Out of stock 5-7 business days Inquiry
  • Product code: LINT889726
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56421-72-8 / 2-thiophen-2-ylpyrazine

Standard CAS: 56421-72-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56421-72-8
Multi CAS
No
Molecular Formula
C8H6N2S
Molecular Weight
162.210000
Exact Mass
162.025169
InChI
InChI=1S/C8H6N2S/c1-2-8(11-5-1)7-6-9-3-4-10-7/h1-6H
InChIKey
BNDYLIJOOZNIHE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
45.35
TPSA
25.78

LogP / Solubility

WLOGP
2.21
MLOGP
1.94
XLogP3
1.2
Consensus LogP
1.78
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.14

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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