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CAS 1079992-61-2 2-Methyl-2H-indazole-4-carboxaldehyde molecular structure lightbox
CAS RN: 1079992-61-2

2-Methyl-2H-indazole-4-carboxaldehyde

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250106 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20251207 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20250111 1g In stock Shanghai Inquiry
Batchno.20250414 250mg In stock Shanghai Inquiry
Batchno.20260220 5g In stock Shanghai Inquiry
  • Product code: SSC-009270
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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 1079992-61-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1079992-61-2 / 2-methylindazole-4-carbaldehyde

2-METHYL-2H-INDAZOLE-4-CARBALDEHYDE | 2-METHYL-2H-INDAZOLE-4-CARBOXALDEHYDE | 2-methylindazole-4-carbaldehyde

Standard CAS: 1079992-61-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1079992-61-2
Multi CAS
No
Molecular Formula
C9H8N2O
Molecular Weight
160.170000
Exact Mass
160.063663
SMILES
CN1C=C2C(=N1)C=CC=C2C=O
InChI
InChI=1S/C9H8N2O/c1-11-5-8-7(6-12)3-2-4-9(8)10-11/h2-6H,1H3
InChIKey
IAUMYBTYMNSNML-UHFFFAOYSA-N
Synonyms
2-METHYL-2H-INDAZOLE-4-CARBALDEHYDE 2-METHYL-2H-INDAZOLE-4-CARBOXALDEHYDE 2-methylindazole-4-carbaldehyde MFCD21642049 SCHEMBL544070

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
46.1
TPSA
34.89

LogP / Solubility

WLOGP
1.39
MLOGP
1.21
XLogP3
1
Consensus LogP
1.2
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
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)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
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] 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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