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CAS 35087-28-6 2,4-DIHYDRO-5-ETHYL-3H-PYRAZOL-3-ONE molecular structure lightbox
CAS RN: 35087-28-6

2,4-DIHYDRO-5-ETHYL-3H-PYRAZOL-3-ONE

  • Product code: SSC-141803
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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 35087-28-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

35087-28-6 / 5-ethyl-1,2-dihydropyrazol-3-one

Standard CAS: 35087-28-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35087-28-6
Multi CAS
Yes
Molecular Formula
C5H8N2O
Molecular Weight
112.130000
Exact Mass
112.063663
InChI
InChI=1S/C5H8N2O/c1-2-4-3-5(8)7-6-4/h2-3H2,1H3,(H,7,8)
InChIKey
AOZOUSZEPXLSLV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
30.79
TPSA
48.65

LogP / Solubility

WLOGP
0.27
MLOGP
0.22
XLogP3
0.5
Consensus LogP
0.33
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.73
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22

Drug-likeness / Medicinal Chemistry

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

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