CAS RN: 2057-82-1
Isobutyraldehyde 2,4-Dinitrophenylhydrazone
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.20251025 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-096894
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 | Hong Kong | Inquiry |
2057-82-1 / N-[(E)-2-methylpropylideneamino]-2,4-dinitroaniline
Basic Information
CAS
2057-82-1
Multi CAS
No
Molecular Formula
C10H12N4O4
Molecular Weight
252.230000
Exact Mass
252.085855
SMILES
CC(C)/C=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H12N4O4/c1-7(2)6-11-12-9-4-3-8(13(15)16)5-10(9)14(17)18/h3-7,12H,1-2H3/b11-6+
InChIKey
WYSDOKPZMGYVGI-IZZDOVSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
66.7
TPSA
110.67
LogP / Solubility
WLOGP
2.56
MLOGP
2.26
XLogP3
1.9
Consensus LogP
2.24
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
