CAS RN: 351990-51-7
1H-Imidazole-2-carboxylicacid,4-nitro-(9CI)
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.20250101 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-142048
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
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 |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Shanghai | Inquiry |
351990-51-7 / 5-nitro-1H-imidazole-2-carboxylic acid
Basic Information
CAS
351990-51-7
Multi CAS
No
Molecular Formula
C4H3N3O4
Molecular Weight
157.080000
Exact Mass
157.012356
InChI
InChI=1S/C4H3N3O4/c8-4(9)3-5-1-2(6-3)7(10)11/h1H,(H,5,6)(H,8,9)
InChIKey
LNPSXTPPQBEISL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
32.2
TPSA
109.12
LogP / Solubility
WLOGP
0.02
MLOGP
0.01
XLogP3
0.1
Consensus LogP
0.04
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.93
Class (SILICOS-IT)
Very 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)
-3.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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