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CAS 868755-64-0 5-(Furan-2-yl)thiophene-2-carbaldehyde molecular structure lightbox
CAS RN: 868755-64-0

5-(Furan-2-yl)thiophene-2-carbaldehyde

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250620 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: LINF913661
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868755-64-0 / 5-(furan-2-yl)thiophene-2-carbaldehyde

Standard CAS: 868755-64-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
868755-64-0
Multi CAS
No
Molecular Formula
C9H6O2S
Molecular Weight
178.210000
Exact Mass
178.008851
InChI
InChI=1S/C9H6O2S/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-6H
InChIKey
IXUVFAGSDDBEKJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
47.41
TPSA
30.21

LogP / Solubility

WLOGP
2.82
MLOGP
2.48
XLogP3
2.2
Consensus LogP
2.5
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly 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)
-1.8

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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