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CAS 39683-24-4 ethyl 4-hydroxy-1-phenyl-pyrazole-3-carboxylate molecular structure lightbox
CAS RN: 39683-24-4

ethyl 4-hydroxy-1-phenyl-pyrazole-3-carboxylate

  • Product code: SSC-147390
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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 39683-24-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

39683-24-4 / ethyl 4-hydroxy-1-phenylpyrazole-3-carboxylate

Standard CAS: 39683-24-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39683-24-4
Multi CAS
Yes
Molecular Formula
C12H12N2O3
Molecular Weight
232.230000
Exact Mass
232.084792
InChI
InChI=1S/C12H12N2O3/c1-2-17-12(16)11-10(15)8-14(13-11)9-6-4-3-5-7-9/h3-8,15H,2H2,1H3
InChIKey
DSLMUSVXQPOEGD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
61.19
TPSA
64.35

LogP / Solubility

WLOGP
1.75
MLOGP
1.55
XLogP3
2.6
Consensus LogP
1.97
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-2.89

Drug-likeness / Medicinal Chemistry

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

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