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CAS 38401-68-2 5-(p-Tolyl)thiophene-2-carbaldehyde molecular structure lightbox
CAS RN: 38401-68-2

5-(p-Tolyl)thiophene-2-carbaldehyde

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250212 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: LINT913841
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38401-68-2 / 5-(4-methylphenyl)thiophene-2-carbaldehyde

Standard CAS: 38401-68-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38401-68-2
Multi CAS
No
Molecular Formula
C12H10OS
Molecular Weight
202.270000
Exact Mass
202.045236
InChI
InChI=1S/C12H10OS/c1-9-2-4-10(5-3-9)12-7-6-11(8-13)14-12/h2-8H,1H3
InChIKey
CNHGZKBPLKLVSD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
59.88
TPSA
17.07

LogP / Solubility

WLOGP
3.54
MLOGP
3.11
XLogP3
3.4
Consensus LogP
3.35
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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