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CAS 437711-24-5 1H-Pyrazole, 1-(2-chlorophenyl)-5-(2-furanyl)-3-(trifluoromethyl)- molecular structure lightbox
CAS RN: 437711-24-5

1H-Pyrazole, 1-(2-chlorophenyl)-5-(2-furanyl)-3-(trifluoromethyl)-

  • Product code: SSC-151840
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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 437711-24-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

437711-24-5 / 1-(2-chlorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole

Standard CAS: 437711-24-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
437711-24-5
Multi CAS
No
Molecular Formula
C14H8CLF3N2O
Molecular Weight
312.670000
Exact Mass
312.027725
InChI
InChI=1S/C14H8ClF3N2O/c15-9-4-1-2-5-10(9)20-11(12-6-3-7-21-12)8-13(19-20)14(16,17)18/h1-8H
InChIKey
NZEULIMFQVSHMZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
71.28
TPSA
30.96

LogP / Solubility

WLOGP
4.8
MLOGP
4.24
XLogP3
4.2
Consensus LogP
4.41
Log S (ESOL)
-5.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.92
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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