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CAS 1167056-71-4 Methyl 6-nitro-1H-indazole-3-carboxylate molecular structure lightbox
CAS RN: 1167056-71-4

Methyl 6-nitro-1H-indazole-3-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250621 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-016655
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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 1167056-71-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1167056-71-4 / methyl 6-nitro-1H-indazole-3-carboxylate

Methyl 6-nitro-1H-indazole-3-carboxylate | MFCD11845648 | 1H-INDAZOLE-3-CARBOXYLIC ACID, 6-NITRO-, METHYL ESTER

Standard CAS: 1167056-71-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1167056-71-4
Multi CAS
No
Molecular Formula
C9H7N3O4
Molecular Weight
221.170000
Exact Mass
221.043656
SMILES
COC(=O)C1=NNC2=C1C=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H7N3O4/c1-16-9(13)8-6-3-2-5(12(14)15)4-7(6)10-11-8/h2-4H,1H3,(H,10,11)
InChIKey
BTIPBYPPBACDLK-UHFFFAOYSA-N
Synonyms
Methyl 6-nitro-1H-indazole-3-carboxylate MFCD11845648 1H-INDAZOLE-3-CARBOXYLIC ACID, 6-NITRO-, METHYL ESTER Methyl6-nitro-1H-indazole-3-carboxylate DTXSID00694640

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
54.09
TPSA
98.12

LogP / Solubility

WLOGP
1.26
MLOGP
1.11
XLogP3
1.6
Consensus LogP
1.32
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately 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)
-3.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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