CAS RN: 5366-84-7
6-Nitro-1,2,4-diazo acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250712 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS5366-84-7
- Purity/Analytical Methods: >99.0%
5366-84-7 / 7-nitrobenzo[e][1,2,3]benzoxadiazole-5-sulfonic acid
Basic Information
CAS
5366-84-7
Multi CAS
Yes
Molecular Formula
C10H5N3O6S
Molecular Weight
295.230000
Exact Mass
294.989906
InChI
InChI=1S/C10H5N3O6S/c14-13(15)5-1-2-6-7(3-5)9(20(16,17)18)4-8-10(6)11-12-19-8/h1-4H,(H,16,17,18)
InChIKey
NLBIPCLXYJYOQP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
13
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
1
Molar refractivity
65.78
TPSA
136.43
LogP / Solubility
WLOGP
1.53
MLOGP
1.36
XLogP3
1.1
Consensus LogP
1.33
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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