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CAS 52773-23-6 1-(1,3-DIMETHYL-1 H-PYRAZOL-4-YL)-ETHANONE molecular structure lightbox
CAS RN: 52773-23-6

1-(1,3-DIMETHYL-1 H-PYRAZOL-4-YL)-ETHANONE

  • Product code: SSC-159900
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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: 1g, 0.25g, 5g, 10g, 0.1g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • 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 52773-23-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 4 In Stock Hong Kong Inquiry
0.25g ≥95% 3 In Stock Shenzhen Inquiry
5g ≥95% 3 In Stock Shenzhen Inquiry
10g ≥95% 3 In Stock Shenzhen Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
25g ≥95% 2 In Stock Shenzhen Inquiry

52773-23-6 / 1-(1,3-dimethylpyrazol-4-yl)ethanone

Standard CAS: 52773-23-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52773-23-6
Multi CAS
No
Molecular Formula
C7H10N2O
Molecular Weight
138.170000
Exact Mass
138.079313
InChI
InChI=1S/C7H10N2O/c1-5-7(6(2)10)4-9(3)8-5/h4H,1-3H3
InChIKey
BRJHIUPNDYVERF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
37.95
TPSA
34.89

LogP / Solubility

WLOGP
0.93
MLOGP
0.81
XLogP3
0.3
Consensus LogP
0.68
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
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)
-2.9

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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