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CAS 59601-91-1 5,6-dinitro-1H-indazole molecular structure lightbox
CAS RN: 59601-91-1

5,6-dinitro-1H-indazole

  • Product code: SSC-168107
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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 59601-91-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

59601-91-1 / 5,6-dinitro-1H-indazole

Standard CAS: 59601-91-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59601-91-1
Multi CAS
Yes
Molecular Formula
C7H4N4O4
Molecular Weight
208.130000
Exact Mass
208.023255
InChI
InChI=1S/C7H4N4O4/c12-10(13)6-1-4-3-8-9-5(4)2-7(6)11(14)15/h1-3H,(H,8,9)
InChIKey
TXKLPRHOQGGDQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
49.4
TPSA
114.96

LogP / Solubility

WLOGP
1.38
MLOGP
1.21
XLogP3
1.9
Consensus LogP
1.5
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
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)
-3.01

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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