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CAS 915922-93-9 5-(Tetrahydro-2H-pyran-2-yl)thiophene-2-carbaldehyde molecular structure lightbox
CAS RN: 915922-93-9

5-(Tetrahydro-2H-pyran-2-yl)thiophene-2-carbaldehyde

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250901 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: LINT913694
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915922-93-9 / 5-(oxan-2-yl)thiophene-2-carbaldehyde

Standard CAS: 915922-93-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
915922-93-9
Multi CAS
No
Molecular Formula
C10H12O2S
Molecular Weight
196.270000
Exact Mass
196.055801
InChI
InChI=1S/C10H12O2S/c11-7-8-4-5-10(13-8)9-3-1-2-6-12-9/h4-5,7,9H,1-3,6H2
InChIKey
APFLKYMBWVBWSD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
52.25
TPSA
26.3

LogP / Solubility

WLOGP
2.8
MLOGP
2.47
XLogP3
2
Consensus LogP
2.42
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93

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
2

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