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CAS 90421-78-6 4-Hydrazino-7-nitrobenzofurazan molecular structure lightbox
CAS RN: 90421-78-6

4-Hydrazino-7-nitrobenzofurazan

  • Product code: SSC-202941
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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 90421-78-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

90421-78-6 / (4-nitro-2,1,3-benzoxadiazol-7-yl)hydrazine

Standard CAS: 90421-78-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90421-78-6
Multi CAS
No
Molecular Formula
C6H5N5O3
Molecular Weight
195.140000
Exact Mass
195.039239
InChI
InChI=1S/C6H5N5O3/c7-8-3-1-2-4(11(12)13)6-5(3)9-14-10-6/h1-2,8H,7H2
InChIKey
DMZATVKONWVLBE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
2
Molar refractivity
46.27
TPSA
120.11

LogP / Solubility

WLOGP
0.42
MLOGP
0.37
XLogP3
0.2
Consensus LogP
0.33
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
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)
-3.61

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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