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CAS 101420-67-1 4-Methyl-5-nitro-1H-indazole molecular structure lightbox
CAS RN: 101420-67-1

4-Methyl-5-nitro-1H-indazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250126 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-002258
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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 101420-67-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

101420-67-1 / 4-methyl-5-nitro-1H-indazole

4-methyl-5-nitro-1H-indazole | DTXSID00363400 | RefChem:294373

Standard CAS: 101420-67-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
101420-67-1
Multi CAS
No
Molecular Formula
C8H7N3O2
Molecular Weight
177.160000
Exact Mass
177.053826
SMILES
CC1=C(C=CC2=C1C=NN2)[N+](=O)[O-]
InChI
InChI=1S/C8H7N3O2/c1-5-6-4-9-10-7(6)2-3-8(5)11(12)13/h2-4H,1H3,(H,9,10)
InChIKey
AIFYSIHSUXTSGT-UHFFFAOYSA-N
Synonyms
4-methyl-5-nitro-1H-indazole DTXSID00363400 RefChem:294373 DTXCID50314447 MFCD03787902

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.49
TPSA
71.82

LogP / Solubility

WLOGP
1.78
MLOGP
1.56
XLogP3
1.7
Consensus LogP
1.68
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-2.54

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

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