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CAS 36640-40-1 3-(4-FLUORO-PHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE molecular structure lightbox
CAS RN: 36640-40-1

3-(4-FLUORO-PHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260612 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-143852
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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: ＞97%
  • 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 36640-40-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

36640-40-1 / 3-(4-fluorophenyl)-1-phenylpyrazole-4-carbaldehyde

Standard CAS: 36640-40-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36640-40-1
Multi CAS
Yes
Molecular Formula
C16FH11N2O
Molecular Weight
266.270000
Exact Mass
266.085541
InChI
InChI=1S/C16H11FN2O/c17-14-8-6-12(7-9-14)16-13(11-20)10-19(18-16)15-4-2-1-3-5-15/h1-11H
InChIKey
AQESLSBUZSGPEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
17
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
74.35
TPSA
34.89

LogP / Solubility

WLOGP
3.49
MLOGP
3.08
XLogP3
3.1
Consensus LogP
3.22
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
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)
-1.87

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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