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CAS 26033-27-2 3-(2-THIENYL)-1H-PYRAZOLE-4-CARBALDEHYDE molecular structure lightbox
CAS RN: 26033-27-2

3-(2-THIENYL)-1H-PYRAZOLE-4-CARBALDEHYDE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260527 1g In stock Inquiry
Batchno.20250927 250mg In stock Inquiry
Batchno.20250826 5g In stock Inquiry
  • Product code: SSC-122854
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 26033-27-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

26033-27-2 / 5-thiophen-2-yl-1H-pyrazole-4-carbaldehyde

Standard CAS: 26033-27-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26033-27-2
Multi CAS
No
Molecular Formula
C8H6N2OS
Molecular Weight
178.210000
Exact Mass
178.020084
SMILES
C1=CSC(=C1)C2=C(C=NN2)C=O
InChI
InChI=1S/C8H6N2OS/c11-5-6-4-9-10-8(6)7-2-1-3-12-7/h1-5H,(H,9,10)
InChIKey
DDQIKYLVCQKLHT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.29
TPSA
45.75

LogP / Solubility

WLOGP
1.95
MLOGP
1.71
XLogP3
1.1
Consensus LogP
1.59
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.42

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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