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CAS 1020540-64-0 2-(thiophen-2-yl)pyridin-4-amine molecular structure lightbox
CAS RN: 1020540-64-0

2-(thiophen-2-yl)pyridin-4-amine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251030 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1020540-64-0
  • Purity/Analytical Methods: >99.0%
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1020540-64-0 / 2-thiophen-2-ylpyridin-4-amine

2-(thiophen-2-yl)pyridin-4-amine | 2-thiophen-2-ylpyridin-4-amine | MFCD12032852

Standard CAS: 1020540-64-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1020540-64-0
Multi CAS
No
Molecular Formula
C9H8N2S
Molecular Weight
176.240000
Exact Mass
176.040819
SMILES
C1=CSC(=C1)C2=NC=CC(=C2)N
InChI
InChI=1S/C9H8N2S/c10-7-3-4-11-8(6-7)9-2-1-5-12-9/h1-6H,(H2,10,11)
InChIKey
VICUIVSXQWOMQG-UHFFFAOYSA-N
Synonyms
2-(thiophen-2-yl)pyridin-4-amine 2-thiophen-2-ylpyridin-4-amine MFCD12032852 2-(2-thienyl)pyridin-4-amine 2-(2-Thienyl)-4-pyridinamine

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.96
TPSA
38.91

LogP / Solubility

WLOGP
2.39
MLOGP
2.1
XLogP3
1.5
Consensus LogP
2
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-2.1

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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