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CAS 60178-98-5 Ethyl 5-Hydroxy-4-methylpyrazole-3-carboxylate molecular structure lightbox
CAS RN: 60178-98-5

Ethyl 5-Hydroxy-4-methylpyrazole-3-carboxylate

  • Product code: SSC-168742
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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, 5g
  • 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 60178-98-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

60178-98-5 / ethyl 4-methyl-5-oxo-1,2-dihydropyrazole-3-carboxylate

Standard CAS: 60178-98-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
60178-98-5
Multi CAS
No
Molecular Formula
C7H10N2O3
Molecular Weight
170.170000
Exact Mass
170.069142
InChI
InChI=1S/C7H10N2O3/c1-3-12-7(11)5-4(2)6(10)9-8-5/h3H2,1-2H3,(H2,8,9,10)
InChIKey
UZYUEVONCXSOKT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
42.11
TPSA
74.95

LogP / Solubility

WLOGP
0.19
MLOGP
0.16
XLogP3
0.5
Consensus LogP
0.28
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
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)
-3.62

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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