![CAS 131467-87-3 NBD-H (=4-Hydrazino-7-nitro-2,1,3-benzoxadiazole Hydrazine) [for HPLC Labeling] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/a5557-jpgcontextbwfzdgvyfhjvb3r8mzq1mzn8aw1hz2uvanblz3xonwevageylzg5mjg1mtcwotu0ntqvqtu1ntcuanbnfdk1zgjlowu1ntyyzjezmjnhmtq2yte2mwq4ywy4otg1m2qwyjixndq2njhizdbimzmxmje2owq2ztrmnjq0zda.jpeg)
CAS RN: 131467-87-3
NBD-H (=4-Hydrazino-7-nitro-2,1,3-benzoxadiazole Hydrazine) [for HPLC Labeling]
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251223 | 10mg | In stock | Shanghai, Shandong | Inquiry |
- Product code: ICTA5557
- Purity/Analytical Methods: >98.0%(HPLC)
131467-87-3 / hydrazine;(4-nitro-2,1,3-benzoxadiazol-7-yl)hydrazine
Basic Information
CAS
131467-87-3
Multi CAS
No
Molecular Formula
C6H9N7O3
Molecular Weight
227.180000
Exact Mass
227.076687
SMILES
C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NN.NN
InChI
InChI=1S/C6H5N5O3.H4N2/c7-8-3-1-2-4(11(12)13)6-5(3)9-14-10-6;1-2/h1-2,8H,7H2;1-2H2
InChIKey
BLIOAKMSUDUCKB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Rotatable bonds
2
H-bond acceptors
9
H-bond donors
4
Molar refractivity
54.64
TPSA
172.15
LogP / Solubility
WLOGP
-0.76
MLOGP
-0.67
XLogP3
-0.76
Consensus LogP
-0.73
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Flammable
Signal
Danger
GHS Hazard Statements
H228 (97.5%): Flammable solid [Danger Flammable solids]
Precautionary Statement Codes
P210, P240, P241, P280, and P370+P378
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