CAS RN: 27896-84-0
5-Nitrobenzimidazole Nitrate
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.20251029 | 5g / 25g / 100g | Confirm by inquiry | Shanghai, Hebei | Inquiry |
- Product code: SSC-128320
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: 25g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ＞95% | 0 Out of Stock | Shenzhen | Inquiry |
27896-84-0 / nitric acid;6-nitro-1H-benzimidazole
Basic Information
CAS
27896-84-0
Multi CAS
No
Molecular Formula
C7H6N4O5
Molecular Weight
226.150000
Exact Mass
226.033819
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])NC=N2.[N+](=O)(O)[O-]
InChI
InChI=1S/C7H5N3O2.HNO3/c11-10(12)5-1-2-6-7(3-5)9-4-8-6;2-1(3)4/h1-4H,(H,8,9);(H,2,3,4)
InChIKey
ZUZQXHSOEZUAIS-UHFFFAOYSA-N
Physical Properties
Physical Description
Faintly beige crystalline lumps
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
51.53
TPSA
135.19
LogP / Solubility
WLOGP
1.12
MLOGP
0.99
XLogP3
1.12
Consensus LogP
1.08
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
Class (SILICOS-IT)
Moderately 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)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
