CAS RN: 1019-57-4
Acetaldehyde 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.20250814 | 200mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
- Product code: SSC-002966
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
1019-57-4 / N-[(E)-ethylideneamino]-2,4-dinitroaniline
DTXSID30871821 | Acetaldehyde, 2,4-dinitrophenylhydrazone | RefChem:551503
Basic Information
CAS
1019-57-4
Multi CAS
Yes
Molecular Formula
C8H8N4O4
Molecular Weight
224.170000
Exact Mass
224.054555
SMILES
C/C=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C8H8N4O4/c1-2-9-10-7-4-3-6(11(13)14)5-8(7)12(15)16/h2-5,10H,1H3/b9-2+
InChIKey
ONBOQRNOMHHDFB-XNWCZRBMSA-N
Synonyms
DTXSID30871821
Acetaldehyde, 2,4-dinitrophenylhydrazone
RefChem:551503
DTXCID30819445
Acetaldehyde (2,4-dinitrophenyl)hydrazone
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
57.54
TPSA
110.67
LogP / Solubility
WLOGP
1.92
MLOGP
1.69
XLogP3
0.8
Consensus LogP
1.47
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly 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)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
