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CAS 1159511-30-4 1-(2-Methyl-2H-indazol-7-yl)ethan-1-one molecular structure lightbox
CAS RN: 1159511-30-4

1-(2-Methyl-2H-indazol-7-yl)ethan-1-one

  • Product code: SSC-015757
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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: ≥95%
  • 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 1159511-30-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1159511-30-4 / 1-(2-methylindazol-7-yl)ethanone

1-(2-Methyl-2H-indazol-7-yl)ethan-1-one | 7-Acetyl-2-methyl-2H-indazole | 1-(2-METHYL-2H-INDAZOL-7-YL)ETHANONE

Standard CAS: 1159511-30-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1159511-30-4
Multi CAS
No
Molecular Formula
C10H10N2O
Molecular Weight
174.200000
Exact Mass
174.079313
SMILES
CC(=O)C1=CC=CC2=CN(N=C21)C
InChI
InChI=1S/C10H10N2O/c1-7(13)9-5-3-4-8-6-12(2)11-10(8)9/h3-6H,1-2H3
InChIKey
UPNZBUHIUFAUGN-UHFFFAOYSA-N
Synonyms
1-(2-Methyl-2H-indazol-7-yl)ethan-1-one 7-Acetyl-2-methyl-2H-indazole 1-(2-METHYL-2H-INDAZOL-7-YL)ETHANONE 1-(2-methylindazol-7-yl)ethanone MFCD11869773

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

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