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CAS 915919-68-5 5-Cyclohexylthiophene-2-carbaldehyde molecular structure lightbox
CAS RN: 915919-68-5

5-Cyclohexylthiophene-2-carbaldehyde

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250420 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: LINC913689
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915919-68-5 / 5-cyclohexylthiophene-2-carbaldehyde

Standard CAS: 915919-68-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
915919-68-5
Multi CAS
No
Molecular Formula
C11H14OS
Molecular Weight
194.300000
Exact Mass
194.076536
InChI
InChI=1S/C11H14OS/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKey
PKJNSTIWWCVZRG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
55.53
TPSA
17.07

LogP / Solubility

WLOGP
3.61
MLOGP
3.17
XLogP3
3.6
Consensus LogP
3.46
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly 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)
-1.34

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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