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CAS 1159511-21-3 1-(1H-indazol-4-yl)ethanone molecular structure lightbox
CAS RN: 1159511-21-3

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

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250318 100mg / 250mg / 1g / 5g Confirm by inquiry Shandong 8-10 business days Inquiry
  • Product code: SSC-015749
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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 1159511-21-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1159511-21-3 / 1-(1H-indazol-4-yl)ethanone

1-(1H-Indazol-5-yl)ethanone | 1-(1H-Indazol-5-yl)ethan-1-one | DTXSID10653460

Standard CAS: 1159511-21-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1159511-21-3
Multi CAS
Yes
Molecular Formula
C9H8N2O
Molecular Weight
160.170000
Exact Mass
160.063663
SMILES
CC(=O)C1=C2C=NNC2=CC=C1
InChI
InChI=1S/C9H8N2O/c1-6(12)7-3-2-4-9-8(7)5-10-11-9/h2-5H,1H3,(H,10,11)
InChIKey
KNEPJECVXQDROO-UHFFFAOYSA-N
Synonyms
1-(1H-Indazol-5-yl)ethanone 1-(1H-Indazol-5-yl)ethan-1-one DTXSID10653460 RefChem:420060 DTXCID10604210

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.1
TPSA
45.75

LogP / Solubility

WLOGP
1.77
MLOGP
1.55
XLogP3
1.2
Consensus LogP
1.51
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
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)
-2.44

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] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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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