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CAS 1159511-23-5 1-(1-methyl-1H-indazol-4-yl)ethanone molecular structure lightbox
CAS RN: 1159511-23-5

1-(1-methyl-1H-indazol-4-yl)ethanone

  • Product code: SSC-015751
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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: ＞97%
  • 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 1159511-23-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1159511-23-5 / 1-(1-methylindazol-4-yl)ethanone

1-(1-Methyl-1H-indazol-4-yl)ethanone | 4-Acetyl-1-methyl-1H-indazole | RefChem:517308

Standard CAS: 1159511-23-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1159511-23-5
Multi CAS
No
Molecular Formula
C10H10N2O
Molecular Weight
174.200000
Exact Mass
174.079313
SMILES
CC(=O)C1=C2C=NN(C2=CC=C1)C
InChI
InChI=1S/C10H10N2O/c1-7(13)8-4-3-5-10-9(8)6-11-12(10)2/h3-6H,1-2H3
InChIKey
JWKGENUMGZSMLE-UHFFFAOYSA-N
Synonyms
1-(1-Methyl-1H-indazol-4-yl)ethanone 4-Acetyl-1-methyl-1H-indazole RefChem:517308 807-533-5 1-(1-Methyl-1H-indazol-4-yl)ethan-1-one

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
50.72
TPSA
34.89

LogP / Solubility

WLOGP
1.78
MLOGP
1.56
XLogP3
1.3
Consensus LogP
1.55
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-2.52

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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