CAS RN: 32690-28-1
4,5-DINITRO-O-PHENYLENEDIAMINE
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-138326
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 | Shenzhen | Inquiry |
32690-28-1 / 4,5-dinitrobenzene-1,2-diamine
Basic Information
CAS
32690-28-1
Multi CAS
No
Molecular Formula
C6H6N4O4
Molecular Weight
198.140000
Exact Mass
198.038905
InChI
InChI=1S/C6H6N4O4/c7-3-1-5(9(11)12)6(10(13)14)2-4(3)8/h1-2H,7-8H2
InChIKey
PCSIZKSNIWJKSK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
48.58
TPSA
138.32
LogP / Solubility
WLOGP
0.67
MLOGP
0.59
XLogP3
0.2
Consensus LogP
0.49
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
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)
-3.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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