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CAS 139332-66-4 NBD-PZ (=4-Nitro-7-piperazino-2,1,3-benzoxadiazole) [for HPLC Labeling] molecular structure lightbox
CAS RN: 139332-66-4

NBD-PZ (=4-Nitro-7-piperazino-2,1,3-benzoxadiazole) [for HPLC Labeling]

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260120 100mg In stock Inquiry
Batchno.20250128 250mg In stock Inquiry
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Batchno.20250107 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: ICTA5554
  • Purity/Analytical Methods: >98.0%(T)(HPLC)
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139332-66-4 / 4-nitro-7-piperazin-1-yl-2,1,3-benzoxadiazole

Standard CAS: 139332-66-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
139332-66-4
Multi CAS
No
Molecular Formula
C10H11N5O3
Molecular Weight
249.230000
Exact Mass
249.086189
SMILES
C1CN(CCN1)C2=CC=C(C3=NON=C23)[N+](=O)[O-]
InChI
InChI=1S/C10H11N5O3/c16-15(17)8-2-1-7(9-10(8)13-18-12-9)14-5-3-11-4-6-14/h1-2,11H,3-6H2
InChIKey
MVLWYDGJBGPXOL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
1
Molar refractivity
63.54
TPSA
97.33

LogP / Solubility

WLOGP
0.54
MLOGP
0.48
XLogP3
0.5
Consensus LogP
0.51
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
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)
-3.86

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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