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CAS 87054-48-6 Methyl 4-hydrazinyl-3-nitrobenzoate molecular structure lightbox
CAS RN: 87054-48-6

Methyl 4-hydrazinyl-3-nitrobenzoate

  • Product code: SSC-196523
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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: 0.1g, 0.25g, 1g, 5g
  • 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 87054-48-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

87054-48-6 / methyl 4-hydrazinyl-3-nitrobenzoate

Standard CAS: 87054-48-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
87054-48-6
Multi CAS
No
Molecular Formula
C8H9N3O4
Molecular Weight
211.170000
Exact Mass
211.059306
InChI
InChI=1S/C8H9N3O4/c1-15-8(12)5-2-3-6(10-9)7(4-5)11(13)14/h2-4,10H,9H2,1H3
InChIKey
NWIYFWDJWIGDBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
52.25
TPSA
107.49

LogP / Solubility

WLOGP
0.67
MLOGP
0.59
XLogP3
1.5
Consensus LogP
0.92
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
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)
-3.53

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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