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CAS 91163-89-2 4-(1H-imidazol-1-yl)thiophene-2-carbaldehyde molecular structure lightbox
CAS RN: 91163-89-2

4-(1H-imidazol-1-yl)thiophene-2-carbaldehyde

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250716 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS91163-89-2
  • Purity/Analytical Methods: >99.0%
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91163-89-2 / 4-imidazol-1-ylthiophene-2-carbaldehyde

Standard CAS: 91163-89-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91163-89-2
Multi CAS
No
Molecular Formula
C8H6N2OS
Molecular Weight
178.210000
Exact Mass
178.020084
InChI
InChI=1S/C8H6N2OS/c11-4-8-3-7(5-12-8)10-2-1-9-6-10/h1-6H
InChIKey
NETHONVYJZOPMN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
46.83
TPSA
34.89

LogP / Solubility

WLOGP
1.75
MLOGP
1.53
XLogP3
1.1
Consensus LogP
1.46
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-2.57

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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