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CAS 1082041-56-2 6-Hydroxy-5-nitro (1H)indazole molecular structure lightbox
CAS RN: 1082041-56-2

6-Hydroxy-5-nitro (1H)indazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260602 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-009447
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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 1082041-56-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1082041-56-2 / 5-nitro-1H-indazol-6-ol

5-Nitro-1H-indazol-6-ol | 6-Hydroxy-5-nitro (1H)indazole | MFCD11007883

Standard CAS: 1082041-56-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1082041-56-2
Multi CAS
No
Molecular Formula
C7H5N3O3
Molecular Weight
179.130000
Exact Mass
179.033091
SMILES
C1=C2C=NNC2=CC(=C1[N+](=O)[O-])O
InChI
InChI=1S/C7H5N3O3/c11-7-2-5-4(3-8-9-5)1-6(7)10(12)13/h1-3,11H,(H,8,9)
InChIKey
OIJDAJASYWQSPS-UHFFFAOYSA-N
Synonyms
5-Nitro-1H-indazol-6-ol 6-Hydroxy-5-nitro (1H)indazole MFCD11007883 5-nitro-1,2-dihydroindazol-6-one SCHEMBL15534879

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
44.41
TPSA
92.05

LogP / Solubility

WLOGP
1.18
MLOGP
1.03
XLogP3
1.6
Consensus LogP
1.27
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98

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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