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CAS 29939-22-8 2,4-DIHYDRO-5-ETHYL-2-METHYL-3H-PYRAZOL-3-ONE molecular structure lightbox
CAS RN: 29939-22-8

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

  • Product code: SSC-133321
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 29939-22-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry

29939-22-8 / 5-ethyl-2-methyl-4H-pyrazol-3-one

Standard CAS: 29939-22-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29939-22-8
Multi CAS
Yes
Molecular Formula
C6H10N2O
Molecular Weight
126.160000
Exact Mass
126.079313
InChI
InChI=1S/C6H10N2O/c1-3-5-4-6(9)8(2)7-5/h4,7H,3H2,1-2H3
InChIKey
UOKSQBPRMSQGPH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
35.11
TPSA
32.67

LogP / Solubility

WLOGP
0.61
MLOGP
0.53
XLogP3
0.2
Consensus LogP
0.45
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
Class (SILICOS-IT)
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)
-3.05

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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