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CAS 72922-61-3 4-NITRO-6-INDAZOLECARBOXYLIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 72922-61-3

4-NITRO-6-INDAZOLECARBOXYLIC ACID METHYL ESTER

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260421 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20251230 100mg / 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
Batchno.20251023 1g In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260508 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260626 5g Out of stock Inquiry
  • Product code: SSC-182393
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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 72922-61-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

72922-61-3 / methyl 4-nitro-1H-indazole-6-carboxylate

Standard CAS: 72922-61-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72922-61-3
Multi CAS
No
Molecular Formula
C9H7N3O4
Molecular Weight
221.170000
Exact Mass
221.043656
InChI
InChI=1S/C9H7N3O4/c1-16-9(13)5-2-7-6(4-10-11-7)8(3-5)12(14)15/h2-4H,1H3,(H,10,11)
InChIKey
OIJKWHSNBQFGHC-UHFFFAOYSA-N

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
1.2
Consensus LogP
1.19
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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