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CAS 5906-99-0 2-Nitrobenzenesulfonic acid hydrazide molecular structure lightbox
CAS RN: 5906-99-0

2-Nitrobenzenesulfonic acid hydrazide

  • Product code: SSC-167455
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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 5906-99-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

5906-99-0 / 2-nitrobenzenesulfonohydrazide

Standard CAS: 5906-99-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5906-99-0
Multi CAS
No
Molecular Formula
C6H7N3O4S
Molecular Weight
217.210000
Exact Mass
217.015727
InChI
InChI=1S/C6H7N3O4S/c7-8-14(12,13)6-4-2-1-3-5(6)9(10)11/h1-4,8H,7H2
InChIKey
QENBJCMCPIVGMF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
47.61
TPSA
115.33

LogP / Solubility

WLOGP
-0.25
MLOGP
-0.22
Consensus LogP
-0.16
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
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)
-4.22

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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