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CAS 210825-11-9 1-phenyl-3-(2-thienyl)-1H-pyrazole-4-carbaldehyde molecular structure lightbox
CAS RN: 210825-11-9

1-phenyl-3-(2-thienyl)-1H-pyrazole-4-carbaldehyde

  • Product code: SSC-100517
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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 210825-11-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

210825-11-9 / 1-phenyl-3-thiophen-2-ylpyrazole-4-carbaldehyde

Standard CAS: 210825-11-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
210825-11-9
Multi CAS
No
Molecular Formula
C14H10N2OS
Molecular Weight
254.310000
Exact Mass
254.051384
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=O
InChI
InChI=1S/C14H10N2OS/c17-10-11-9-16(12-5-2-1-3-6-12)15-14(11)13-7-4-8-18-13/h1-10H
InChIKey
HVDFEBGVPKLCCY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
72.26
TPSA
34.89

LogP / Solubility

WLOGP
3.41
MLOGP
3.01
XLogP3
2.7
Consensus LogP
3.04
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
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)
-1.85

Drug-likeness / Medicinal Chemistry

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

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