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CAS 956769-55-4 3-(5-FORMYL-2-FURYL)-1-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE molecular structure lightbox
CAS RN: 956769-55-4

3-(5-FORMYL-2-FURYL)-1-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE

  • Product code: SSC-211243
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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: 0.25g
  • 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 956769-55-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

956769-55-4 / 3-(5-formylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde

Standard CAS: 956769-55-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
956769-55-4
Multi CAS
No
Molecular Formula
C15H10N2O3
Molecular Weight
266.250000
Exact Mass
266.069142
InChI
InChI=1S/C15H10N2O3/c18-9-11-8-17(12-4-2-1-3-5-12)16-15(11)14-7-6-13(10-19)20-14/h1-10H
InChIKey
CCOHCERQPKBHQX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
16
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
72.04
TPSA
65.1

LogP / Solubility

WLOGP
2.76
MLOGP
2.43
XLogP3
1.9
Consensus LogP
2.36
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
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
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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