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CAS 36174-07-9 1-acetyl-1H-indazol-5-yl acetate molecular structure lightbox
CAS RN: 36174-07-9

1-acetyl-1H-indazol-5-yl acetate

  • Product code: SSC-143326
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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 36174-07-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Beijing Inquiry

36174-07-9 / (1-acetylindazol-5-yl) acetate

Standard CAS: 36174-07-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36174-07-9
Multi CAS
Yes
Molecular Formula
C11H10N2O3
Molecular Weight
218.210000
Exact Mass
218.069142
InChI
InChI=1S/C11H10N2O3/c1-7(14)13-11-4-3-10(16-8(2)15)5-9(11)6-12-13/h3-6H,1-2H3
InChIKey
STKYXVXUUPIMSU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
57.34
TPSA
61.19

LogP / Solubility

WLOGP
1.62
MLOGP
1.43
XLogP3
1.2
Consensus LogP
1.42
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-2.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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